data_[Nd16Pt2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2851]
_cell_length_b [5.1668]
_cell_length_c [7.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8PtAu2]
_chemical_formula_sum '[Nd16 Pt2 Au4]'
_cell_volume [655.6746]
_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  0.0266  0.0000  0.7771  1.0
  Nd  Nd1  4  0.0882  0.5000  0.4455  1.0
  Nd  Nd2  4  0.1608  0.5000  0.9714  1.0
  Nd  Nd3  4  0.2028  0.0000  0.3322  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1914  0.0000  0.7453  1.0
]