data_[Cu8Te4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8739]
_cell_length_b [12.8933]
_cell_length_c [7.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2TeBr6]
_chemical_formula_sum '[Cu8 Te4 Br24]'
_cell_volume [1406.8272]
_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
[
  Cu  Cu0  8  0.2345  0.4758  0.7863  1.0
  Te  Te1  4  0.0000  0.0968  0.7500  1.0
  Br  Br2  8  0.1086  0.2289  0.6671  1.0
  Br  Br3  8  0.1122  0.0809  0.1513  1.0
  Br  Br4  8  0.1417  0.4959  0.4868  1.0
]