data_[Nd12Pd4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7508]
_cell_length_b [7.5350]
_cell_length_c [12.1981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Pd2Pt]
_chemical_formula_sum '[Nd12 Pd4 Pt2]'
_cell_volume [538.2298]
_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  0.0901  0.1876  0.4289  1.0
  Nd  Nd1  4  0.2546  0.6693  0.4257  1.0
  Nd  Nd2  4  0.4017  0.0446  0.2416  1.0
  Pd  Pd3  4  0.1692  0.1168  0.7310  1.0
  Pt  Pt4  2  0.5000  0.0000  0.5000  1.0
]