data_[Nd12Ir4Rh2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  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 [7.1936]
_cell_length_b [12.4710]
_cell_length_c [8.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Ir2RhBr3]
_chemical_formula_sum '[Nd12 Ir4 Rh2 Br6]'
_cell_volume [700.5926]
_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
[
  Nd  Nd0  8  0.2320  0.8330  0.1951  1.0
  Nd  Nd1  4  0.2310  0.5000  0.1952  1.0
  Ir  Ir2  4  0.0000  0.3333  0.0000  1.0
  Rh  Rh3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1670  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]