data_[Tl6Zn2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3732]
_cell_length_b [11.0485]
_cell_length_c [7.4310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Zn(CrS3)2]
_chemical_formula_sum '[Tl6 Zn2 Cr4 S12]'
_cell_volume [501.6782]
_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
[
  Tl  Tl0  4  0.0000  0.1623  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3327  0.0000  1.0
  S  S4  8  0.2347  0.1749  0.1802  1.0
  S  S5  4  0.2119  0.5000  0.1708  1.0
]