data_[Ta2Cr4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8972]
_cell_length_b [10.3123]
_cell_length_c [8.6999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaCr2(CdS3)2]
_chemical_formula_sum '[Ta2 Cr4 Cd4 S12]'
_cell_volume [513.8728]
_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
[
  Ta  Ta0  2  0.0000  0.5000  0.5000  1
  Cr  Cr1  4  0.0000  0.1653  0.5000  1
  Cd  Cd2  4  0.0000  0.2516  0.0000  1
  S  S3  8  0.1129  0.3294  0.3364  1
  S  S4  4  0.1002  0.0000  0.3325  1
]