data_[Tl4Zn2Cr2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9544]
_cell_length_b [10.5303]
_cell_length_c [6.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.3409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2ZnCrCl6]
_chemical_formula_sum '[Tl4 Zn2 Cr2 Cl12]'
_cell_volume [529.4701]
_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  2  0.0000  0.0604  0.0000  1.0
  Tl  Tl1  2  0.0000  0.5706  0.0000  1.0
  Zn  Zn2  2  0.0000  0.3427  0.5000  1.0
  Cr  Cr3  2  0.0000  0.8158  0.5000  1.0
  Cl  Cl4  4  0.1738  0.3120  0.9347  1.0
  Cl  Cl5  4  0.1880  0.8116  0.4049  1.0
  Cl  Cl6  2  0.0000  0.0375  0.5000  1.0
  Cl  Cl7  2  0.0000  0.5818  0.5000  1.0
]