data_[Tl2Cr2Bi2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1088]
_cell_length_b [11.7291]
_cell_length_c [7.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCrBiCl6]
_chemical_formula_sum '[Tl2 Cr2 Bi2 Cl12]'
_cell_volume [585.5805]
_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  0.0017  0.0000  1.0
  Cr  Cr1  2  0.0000  0.3365  0.5000  1.0
  Bi  Bi2  2  0.0000  0.6755  0.5000  1.0
  Cl  Cl3  4  0.1263  0.4816  0.7094  1.0
  Cl  Cl4  4  0.1691  0.1939  0.6886  1.0
  Cl  Cl5  4  0.1823  0.8177  0.7379  1.0
]