data_[Cr8Mo16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9832]
_cell_length_b [6.5783]
_cell_length_c [12.9397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr(MoS2)2]
_chemical_formula_sum '[Cr8 Mo16 S32]'
_cell_volume [929.3446]
_cell_formula_units_Z [8]
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  8  0.2409  0.1234  0.7483  1
  Mo  Mo1  8  0.0895  0.1508  0.4922  1
  Mo  Mo2  8  0.0984  0.3979  0.9939  1
  S  S3  8  0.0164  0.1269  0.6359  1
  S  S4  8  0.0364  0.3822  0.1476  1
  S  S5  8  0.2363  0.1340  0.3872  1
  S  S6  8  0.2482  0.6226  0.3949  1
]