data_[Nd8Bi4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1844]
_cell_length_b [6.8520]
_cell_length_c [9.0410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4Bi2Ir]
_chemical_formula_sum '[Nd8 Bi4 Ir2]'
_cell_volume [432.5936]
_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  0.1602  0.5113  0.7950  1
  Nd  Nd1  2  0.2983  0.7500  0.4161  1
  Nd  Nd2  2  0.3067  0.2500  0.1575  1
  Bi  Bi3  2  0.1841  0.2500  0.4790  1
  Bi  Bi4  2  0.4401  0.7500  0.1053  1
  Ir  Ir5  2  0.0428  0.7500  0.0748  1
]