data_[Nd12Pt4Au8]
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 [Cmmm]
_cell_length_a [5.1814]
_cell_length_b [15.6414]
_cell_length_c [7.3932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd3PtAu2]
_chemical_formula_sum '[Nd12 Pt4 Au8]'
_cell_volume [599.1740]
_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  8  0.0000  0.1700  0.2398  1
  Nd  Nd1  4  0.0000  0.5000  0.2466  1
  Pt  Pt2  4  0.0000  0.3429  0.0000  1
  Au  Au3  4  0.0000  0.3320  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]