# C60 cryst-a optimized by PBE-D3paw900
data_nolabel
_cell_length_a                  14.09676925
_cell_length_b                  14.09676925
_cell_length_c                  14.09676925
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_symmetry_space_group_name_H-M   Pa-3
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
-x,y+1/2,-z+1/2
-z,x+1/2,-y+1/2
-y,z+1/2,-x+1/2
x,-y+1/2,z+1/2
z,-x+1/2,y+1/2
y,-z+1/2,x+1/2
-x+1/2,-y,z+1/2
-z+1/2,-x,y+1/2
-y+1/2,-z,x+1/2
x+1/2,y,-z+1/2
z+1/2,x,-y+1/2
y+1/2,z,-x+1/2
x+1/2,-y+1/2,-z
z+1/2,-x+1/2,-y
y+1/2,-z+1/2,-x
-x+1/2,y+1/2,z
-z+1/2,x+1/2,y
-y+1/2,z+1/2,x
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C     .22205991   .11293118  -.03830291
 C     .24274586   .01960962  -.06480721
 C     .11895632   .13207688  -.17852015
 C     .00645430   .24600263  -.05482017
 C     .06061441   .20356879   .13537374
 C     .20665496   .06377542   .12914713
 C     .15908413   .17037183  -.09629492
 C     .24600263  -.05482017   .00645430
 C     .14031121   .03513162  -.20611388
 C    -.03513162   .20611388  -.14031121
 C    -.03830291   .22205991   .11293118
 C     .13537374   .06061441   .20356879
 C     .10169297   .22840072  -.03316397
 C     .20611388  -.14031121  -.03513162
 C     .05482017  -.00645430  -.24600263
 C    -.13207688   .17852015  -.11895632
 C    -.09629492   .15908413   .17037183
 C     .11293118  -.03830291   .22205991
 C     .12914713   .20665496   .06377542
 C     .17852015  -.11895632  -.13207688
 C    -.01960962   .06480721  -.24274586
 C    -.15025729   .20091783  -.02001929
 C    -.03316397   .10169297   .22840072
 C     .17037183  -.09629492   .15908413
 C     .20356879   .13537374   .06061441
 C     .20091783  -.02001929  -.15025729
 C     .02001929   .15025729  -.20091783
 C    -.06480721   .24274586   .01960962
 C     .06377542   .12914713   .20665496
 C     .22840072  -.03316397   .10169297
 C    -.22205991  -.11293118   .03830291
 C    -.24274586  -.01960962   .06480721
 C    -.11895632  -.13207688   .17852015
 C    -.00645430  -.24600263   .05482017
 C    -.06061441  -.20356879  -.13537374
 C    -.20665496  -.06377542  -.12914713
 C    -.15908413  -.17037183   .09629492
 C    -.24600263   .05482017  -.00645430
 C    -.14031121  -.03513162   .20611388
 C     .03513162  -.20611388   .14031121
 C     .03830291  -.22205991  -.11293118
 C    -.13537374  -.06061441  -.20356879
 C    -.10169297  -.22840072   .03316397
 C    -.20611388   .14031121   .03513162
 C    -.05482017   .00645430   .24600263
 C     .13207688  -.17852015   .11895632
 C     .09629492  -.15908413  -.17037183
 C    -.11293118   .03830291  -.22205991
 C    -.12914713  -.20665496  -.06377542
 C    -.17852015   .11895632   .13207688
 C     .01960962  -.06480721   .24274586
 C     .15025729  -.20091783   .02001929
 C     .03316397  -.10169297  -.22840072
 C    -.17037183   .09629492  -.15908413
 C    -.20356879  -.13537374  -.06061441
 C    -.20091783   .02001929   .15025729
 C    -.02001929  -.15025729   .20091783
 C     .06480721  -.24274586  -.01960962
 C    -.06377542  -.12914713  -.20665496
 C    -.22840072   .03316397  -.10169297
