data_[Tl4Cu2Bi2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.2321]
_cell_length_b [7.2321]
_cell_length_c [11.3430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2CuBiCl6]
_chemical_formula_sum '[Tl4 Cu2 Bi2 Cl12]'
_cell_volume [593.2833]
_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  0.5000  0.2038  1.0
  Cu  Cu1  2  0.0000  0.0000  0.4665  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0060  1.0
  Cl  Cl3  8  0.2339  0.2339  0.5209  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2593  1.0
  Cl  Cl5  2  0.0000  0.0000  0.7765  1.0
]