data_[Cu8As4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6305]
_cell_length_b [13.6065]
_cell_length_c [7.3373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AsBr6]
_chemical_formula_sum '[Cu8 As4 Br24]'
_cell_volume [1349.0984]
_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  0.2286  0.4692  0.8048  1.0
  As  As1  4  0.0000  0.1069  0.7500  1.0
  Br  Br2  8  0.1097  0.2171  0.6859  1.0
  Br  Br3  8  0.1147  0.0909  0.1469  1.0
  Br  Br4  8  0.1278  0.4904  0.4677  1.0
]