data_[La12Cu2Rh4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.3007]
_cell_length_b [12.6390]
_cell_length_c [8.2547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CuRh2Br3]
_chemical_formula_sum '[La12 Cu2 Rh4 Br6]'
_cell_volume [727.6506]
_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
[
  La  La0  8  0.2374  0.1714  0.1982  1.0
  La  La1  4  0.2233  0.5000  0.1983  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3333  0.0000  1.0
  Br  Br4  4  0.0000  0.1662  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]