data_[Nd16Ru2Au10]
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 [I-4]
_cell_length_a [9.0937]
_cell_length_b [9.0937]
_cell_length_c [9.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8RuAu5]
_chemical_formula_sum '[Nd16 Ru2 Au10]'
_cell_volume [776.2177]
_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  8  0.0565  0.3202  0.4513  1
  Nd  Nd1  8  0.0694  0.2064  0.8105  1
  Ru  Ru2  2  0.0000  0.5000  0.7500  1
  Au  Au3  8  0.1151  0.2467  0.1357  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]