data_[Nd9Pd3Pt24]
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 [R3m]
_cell_length_a [5.4696]
_cell_length_b [5.4696]
_cell_length_c [26.7517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3PdPt8]
_chemical_formula_sum '[Nd9 Pd3 Pt24]'
_cell_volume [693.1041]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0121  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4914  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6222  1.0
  Pd  Pd3  3  0.0000  0.0000  0.1323  1.0
  Pt  Pt4  9  0.1671  0.3341  0.8949  1.0
  Pt  Pt5  9  0.1681  0.3362  0.3947  1.0
  Pt  Pt6  3  0.0000  0.0000  0.3117  1.0
  Pt  Pt7  3  0.0000  0.0000  0.8113  1.0
]