data_[Nd12Ir2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9764]
_cell_length_b [7.5610]
_cell_length_c [12.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6IrAu2]
_chemical_formula_sum '[Nd12 Ir2 Au4]'
_cell_volume [558.2155]
_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  0.1134  0.1913  0.4361  1.0
  Nd  Nd1  4  0.2563  0.6802  0.4305  1.0
  Nd  Nd2  4  0.3915  0.0343  0.2452  1.0
  Ir  Ir3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.1778  0.1083  0.7326  1.0
]