data_[Cr8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.9538]
_cell_length_b [5.9538]
_cell_length_c [10.9427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Cr2S3]
_chemical_formula_sum '[Cr8 S12]'
_cell_volume [335.9232]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cr  Cr0  1  0.0000  0.0000  0.4997  1.0
  Cr  Cr1  1  0.0000  0.0000  0.9954  1.0
  Cr  Cr2  1  0.3333  0.6667  0.0112  1.0
  Cr  Cr3  1  0.3333  0.6667  0.4952  1.0
  Cr  Cr4  1  0.3333  0.6667  0.7421  1.0
  Cr  Cr5  1  0.6667  0.3333  0.2511  1.0
  Cr  Cr6  1  0.6667  0.3333  0.5050  1.0
  Cr  Cr7  1  0.6667  0.3333  0.9949  1.0
  S  S8  3  0.0063  0.6705  0.6206  1.0
  S  S9  3  0.0135  0.3429  0.8779  1.0
  S  S10  3  0.3356  0.3263  0.1236  1.0
  S  S11  3  0.3375  0.0076  0.3798  1.0
]