data_[Tl2Cu2Ag4Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.3009]
_cell_length_b [7.5623]
_cell_length_c [7.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TlCu(AgBr2)2]
_chemical_formula_sum '[Tl2 Cu2 Ag4 Br8]'
_cell_volume [522.5657]
_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  0.8468  0.5103  1.0
  Cu  Cu1  2  0.0000  0.1801  0.9990  1.0
  Ag  Ag2  4  0.2491  0.6627  0.9934  1.0
  Br  Br3  4  0.2077  0.3300  0.8593  1.0
  Br  Br4  2  0.0000  0.2348  0.3289  1.0
  Br  Br5  2  0.0000  0.8570  0.9563  1.0
]