data_[Nd16P8Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.9291]
_cell_length_b [8.6460]
_cell_length_c [15.0382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2PPt3]
_chemical_formula_sum '[Nd16 P8 Pt24]'
_cell_volume [1030.9386]
_cell_formula_units_Z [8]
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  0.2376  0.0000  0.0000  1
  Nd  Nd1  8  0.2500  0.2500  0.2500  1
  P  P2  8  0.0000  0.0000  0.3344  1
  Pt  Pt3  16  0.0000  0.2354  0.4121  1
  Pt  Pt4  8  0.0000  0.0000  0.1768  1
]