data_[Cu4Rh2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0378]
_cell_length_b [3.0776]
_cell_length_c [6.1096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2RhBr]
_chemical_formula_sum '[Cu4 Rh2 Br2]'
_cell_volume [148.7515]
_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  0.0439  0.0000  0.0868  1
  Cu  Cu1  2  0.2857  0.5000  0.2545  1
  Rh  Rh2  2  0.0252  0.5000  0.4231  1
  Br  Br3  2  0.1452  0.0000  0.7357  1
]