data_[Tl4Cu6Br16]
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/m]
_cell_length_a [14.9073]
_cell_length_b [8.8169]
_cell_length_c [6.7373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cu3Br8]
_chemical_formula_sum '[Tl4 Cu6 Br16]'
_cell_volume [831.4159]
_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  0.2482  0.5000  0.8959  1.0
  Cu  Cu1  4  0.0000  0.3249  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.0846  0.2186  0.7902  1.0
  Br  Br4  4  0.1187  0.5000  0.2265  1.0
  Br  Br5  4  0.1406  0.0000  0.4108  1.0
]