# NaSi6 hypothetical clathrate corresponding to Kelvin foam structure
# Does not exist because of high angle strain
data_NaSi6
_chemical_formula_sum            NaSi6
_symmetry_space_group_name_H-M   Im-3m
_symmetry_int_tables_number      229
_cell_length_a                   6.78
_cell_length_b                   6.78
_cell_length_c                   6.78
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
z,-x,y
1/2+z,1/2-x,1/2+y
-y,z,-x
1/2-y,1/2+z,1/2-x
x,-y,z
1/2+x,1/2-y,1/2+z
-z,x,-y
1/2-z,1/2+x,1/2-y
y,-z,x
1/2+y,1/2-z,1/2+x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-z,-y
1/2+x,1/2-z,1/2-y
-z,y,x
1/2-z,1/2+y,1/2+x
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,z,y
1/2-x,1/2+z,1/2+y
z,-y,-x
1/2+z,1/2-y,1/2-x
-y,x,z
1/2-y,1/2+x,1/2+z
x,z,y
1/2+x,1/2+z,1/2+y
-z,-y,-x
1/2-z,1/2-y,1/2-x
y,x,z
1/2+y,1/2+x,1/2+z
-x,-z,-y
1/2-x,1/2-z,1/2-y
z,y,x
1/2+z,1/2+y,1/2+x
-y,-x,-z
1/2-y,1/2-x,1/2-z
z,x,-y
1/2+z,1/2+x,1/2-y
-y,-z,x
1/2-y,1/2-z,1/2+x
x,y,-z
1/2+x,1/2+y,1/2-z
-z,-x,y
1/2-z,1/2-x,1/2+y
y,z,-x
1/2+y,1/2+z,1/2-x
-x,-y,z
1/2-x,1/2-y,1/2+z
-z,x,y
1/2-z,1/2+x,1/2+y
y,-z,-x
1/2+y,1/2-z,1/2-x
-x,y,z
1/2-x,1/2+y,1/2+z
z,-x,-y
1/2+z,1/2-x,1/2-y
-y,z,x
1/2-y,1/2+z,1/2+x
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,z,-y
1/2-x,1/2+z,1/2-y
z,-y,x
1/2+z,1/2-y,1/2+x
-y,x,-z
1/2-y,1/2+x,1/2-z
x,-z,y
1/2+x,1/2-z,1/2+y
-z,y,-x
1/2-z,1/2+y,1/2-x
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-z,y
1/2-x,1/2-z,1/2+y
z,y,-x
1/2+z,1/2+y,1/2-x
-y,-x,z
1/2-y,1/2-x,1/2+z
x,z,-y
1/2+x,1/2+z,1/2-y
-z,-y,x
1/2-z,1/2-y,1/2+x
y,x,-z
1/2+y,1/2+x,1/2-z
-z,-x,-y
1/2-z,1/2-x,1/2-y
y,z,x
1/2+y,1/2+z,1/2+x
-x,-y,-z
1/2-x,1/2-y,1/2-z
z,x,y
1/2+z,1/2+x,1/2+y
-y,-z,-x
1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na  2a 0 0 0
Si 12d 0.5 0.25 0
