data_[Nd12Ru4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9174]
_cell_length_b [7.4172]
_cell_length_c [8.6498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd3RuAu]
_chemical_formula_sum '[Nd12 Ru4 Au4]'
_cell_volume [552.8109]
_cell_formula_units_Z [4]
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  0.1518  0.6802  0.5134  1
  Nd  Nd1  4  0.2330  0.1477  0.4077  1
  Nd  Nd2  4  0.4590  0.5104  0.2872  1
  Ru  Ru3  4  0.4319  0.6869  0.9809  1
  Au  Au4  4  0.0859  0.0419  0.6915  1
]