data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.6447623195
_cell_length_b         5.6447623195
_cell_length_c         5.6447623195
_cell_angle_alpha       116.6357
_cell_angle_beta       116.6357
_cell_angle_gamma       116.6357
_cell_volume            83.751549
_space_group_crystal_system trigonal
_space_group_IT_number 160
_space_group_name_H-M_alt 'R3m'
_space_group_name_Hall 'R 3 -2"'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,x,y'
  'y,z,x'
  'z,y,x'
  'y,x,z'
  'x,z,y'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni     Ni     0.38771000000000     0.65096000000000     0.38771000000000
S      S      0.11224000000000     0.77552000000000     0.11224000000000
