data_[Nd8Si16Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2886]
_cell_length_b [8.7631]
_cell_length_c [16.0034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NdSi2Ir]
_chemical_formula_sum '[Nd8 Si16 Ir8]'
_cell_volume [601.4290]
_cell_formula_units_Z [8]
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  0.0000  0.2544  0.0000  1
  Nd  Nd1  4  0.0000  0.5000  0.2057  1
  Si  Si2  8  0.0000  0.1536  0.8000  1
  Si  Si3  4  0.0000  0.0000  0.4248  1
  Si  Si4  4  0.0000  0.5000  0.4221  1
  Ir  Ir5  8  0.0000  0.2537  0.3538  1
]