data_[Cr2Te4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2246]
_cell_length_b [3.6427]
_cell_length_c [10.8789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr(TeS3)2]
_chemical_formula_sum '[Cr2 Te4 S12]'
_cell_volume [459.9406]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Te  Te1  4  0.1623  0.5000  0.8205  1
  S  S2  4  0.0033  0.0000  0.2851  1
  S  S3  4  0.1396  0.5000  0.5786  1
  S  S4  4  0.1767  0.5000  0.0963  1
]