data_[Nd16Sb2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7865]
_cell_length_b [13.4852]
_cell_length_c [5.8100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8SbIr2]
_chemical_formula_sum '[Nd16 Sb2 Ir4]'
_cell_volume [672.8616]
_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  0.2009  0.1288  0.0916  1
  Nd  Nd1  4  0.0000  0.2474  0.5000  1
  Nd  Nd2  4  0.1149  0.5000  0.2981  1
  Sb  Sb3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.3072  0.0000  1
]