data_[Nd12Mg4Ir2]
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 [P2_1/c]
_cell_length_a [7.1895]
_cell_length_b [7.3216]
_cell_length_c [13.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Mg2Ir]
_chemical_formula_sum '[Nd12 Mg4 Ir2]'
_cell_volume [592.8411]
_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  4  0.1749  0.5286  0.7539  1
  Nd  Nd1  4  0.1987  0.6999  0.0252  1
  Nd  Nd2  4  0.3291  0.1781  0.0264  1
  Mg  Mg3  4  0.3090  0.0809  0.7514  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]