data_[Nd9Mg3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4090]
_cell_length_b [5.4090]
_cell_length_c [26.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3MgIr8]
_chemical_formula_sum '[Nd9 Mg3 Ir24]'
_cell_volume [667.3435]
_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  0.3758  1.0
  Nd  Nd1  3  0.0000  0.0000  0.5027  1.0
  Nd  Nd2  3  0.0000  0.0000  0.9966  1.0
  Mg  Mg3  3  0.0000  0.0000  0.8732  1.0
  Ir  Ir4  9  0.0021  0.5010  0.4390  1.0
  Ir  Ir5  9  0.1671  0.3342  0.2697  1.0
  Ir  Ir6  3  0.0000  0.0000  0.1879  1.0
  Ir  Ir7  3  0.0000  0.0000  0.6876  1.0
]