data_[Cu4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9345]
_cell_length_b [3.8362]
_cell_length_c [10.5441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu2Br3]
_chemical_formula_sum '[Cu4 Br6]'
_cell_volume [280.3714]
_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
[
  Cu  Cu0  1  0.1659  0.5000  0.5569  1.0
  Cu  Cu1  1  0.5120  0.5000  0.9955  1.0
  Cu  Cu2  1  0.6771  0.0000  0.5670  1.0
  Cu  Cu3  1  0.8501  0.5000  0.2594  1.0
  Br  Br4  1  0.0065  0.0000  0.6516  1.0
  Br  Br5  1  0.1768  0.5000  0.3341  1.0
  Br  Br6  1  0.3199  0.0000  0.9789  1.0
  Br  Br7  1  0.5033  0.5000  0.6468  1.0
  Br  Br8  1  0.6692  0.0000  0.3369  1.0
  Br  Br9  1  0.8413  0.5000  0.0314  1.0
]