data_[Nd24Ag8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.8456]
_cell_length_b [10.1402]
_cell_length_c [10.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Ag2Ir]
_chemical_formula_sum '[Nd24 Ag8 Ir4]'
_cell_volume [1032.3630]
_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  0.0000  0.1658  0.2507  1
  Nd  Nd1  8  0.1658  0.5000  0.2243  1
  Nd  Nd2  8  0.2349  0.6820  0.5000  1
  Ag  Ag3  4  0.0000  0.3559  0.0000  1
  Ag  Ag4  4  0.1372  0.0000  0.5000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  2  0.0000  0.5000  0.5000  1
]