# C as rhombohedral graphite
# Deformation of smooth graphite sheets towards diamond
# Buckling parameter is chosen arbitrary in the region 1/8<zeta<1/6
# zeta=1/6 - smooth graphite sheets in abc stacking
# zeta=1/8 - diamond for c/a=sqrt(6)
# In A7 structure deformation is opposite: zeta>1/6
data_nolabel
_cell_length_a     2.456
_cell_length_b     2.456
_cell_length_c     10.044
_cell_angle_alpha  90
_cell_angle_beta   90
_cell_angle_gamma  120
_symmetry_space_group_name_H-M  'R-3m'
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Wyckoff_symbol
 C  0  0  0.1344  6c
