data_[Tl8Cu4Br12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7194]
_cell_length_b [8.1257]
_cell_length_c [8.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2CuBr3]
_chemical_formula_sum '[Tl8 Cu4 Br12]'
_cell_volume [829.8754]
_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  8  0.1550  0.3173  0.6586  1.0
  Cu  Cu1  4  0.0000  0.0910  0.2500  1.0
  Br  Br2  8  0.1595  0.0351  0.9514  1.0
  Br  Br3  4  0.0000  0.3902  0.2500  1.0
]