data_[Nd8Ni8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9651]
_cell_length_b [5.4370]
_cell_length_c [8.2044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Ni2Ir]
_chemical_formula_sum '[Nd8 Ni8 Ir4]'
_cell_volume [389.6026]
_cell_formula_units_Z [4]
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  0.1512  0.3778  0.1539  1
  Ni  Ni1  8  0.1241  0.1207  0.4984  1
  Ir  Ir2  4  0.0000  0.1515  0.7500  1
]