data_[Nd12Bi4Ir2]
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 [P4_2/mnm]
_cell_length_a [7.1432]
_cell_length_b [7.1432]
_cell_length_c [14.0432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Nd6Bi2Ir]
_chemical_formula_sum '[Nd12 Bi4 Ir2]'
_cell_volume [716.5559]
_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  0.1878  0.8122  0.1470  1
  Nd  Nd1  4  0.2189  0.7811  0.5000  1
  Bi  Bi2  4  0.0000  0.0000  0.3310  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]