data_[Nd9In3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4121]
_cell_length_b [5.4121]
_cell_length_c [26.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3InIr8]
_chemical_formula_sum '[Nd9 In3 Ir24]'
_cell_volume [671.1112]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0036  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4972  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6243  1.0
  In  In3  3  0.0000  0.0000  0.1267  1.0
  Ir  Ir4  9  0.1667  0.3334  0.3963  1.0
  Ir  Ir5  9  0.1675  0.3349  0.8951  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3122  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8120  1.0
]