data_[Cu2Re4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.0059]
_cell_length_b [3.3198]
_cell_length_c [8.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuRe2Br]
_chemical_formula_sum '[Cu2 Re4 Br2]'
_cell_volume [159.6284]
_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  2  0.1274  0.5000  0.2083  1
  Re  Re1  2  0.2324  0.0000  0.7979  1
  Re  Re2  2  0.4373  0.5000  0.9742  1
  Br  Br3  2  0.2030  0.5000  0.5196  1
]