data_[Cu4Rh2Br16]
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 [C2/m]
_cell_length_a [14.0815]
_cell_length_b [8.9197]
_cell_length_c [6.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2RhBr8]
_chemical_formula_sum '[Cu4 Rh2 Br16]'
_cell_volume [727.2002]
_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  4  0.1784  0.0000  0.7298  1.0
  Rh  Rh1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0738  0.1912  0.8109  1.0
  Br  Br3  4  0.1473  0.5000  0.1002  1.0
  Br  Br4  4  0.1684  0.0000  0.3336  1.0
]