data_[Nd12Ir2Pt4Br6]
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
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7710]
_cell_length_b [4.2344]
_cell_length_c [9.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6IrPt2Br3]
_chemical_formula_sum '[Nd12 Ir2 Pt4 Br6]'
_cell_volume [719.3641]
_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  4  0.0103  0.0000  0.2154  1.0
  Nd  Nd1  4  0.1515  0.5000  0.1094  1.0
  Nd  Nd2  4  0.1773  0.5000  0.5541  1.0
  Ir  Ir3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1672  0.0000  0.3347  1.0
  Br  Br5  4  0.1668  0.0000  0.8315  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]