data_[Tl4Cu8Br8Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.8515]
_cell_length_b [13.1071]
_cell_length_c [5.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlCu2Br2Cl]
_chemical_formula_sum '[Tl4 Cu8 Br8 Cl4]'
_cell_volume [664.0557]
_cell_formula_units_Z [4]
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  0.2801  0.2500  1
  Cu  Cu1  8  0.1741  0.0000  0.0000  1
  Br  Br2  8  0.2107  0.3685  0.7500  1
  Cl  Cl3  4  0.0000  0.0968  0.7500  1
]