data_[Nd4P4Pt4]
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 [P2_13]
_cell_length_a [6.3185]
_cell_length_b [6.3185]
_cell_length_c [6.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [NdPPt]
_chemical_formula_sum '[Nd4 P4 Pt4]'
_cell_volume [252.2576]
_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  4  0.1680  0.1680  0.1680  1.0
  P  P1  4  0.0572  0.5572  0.9428  1.0
  Pt  Pt2  4  0.1622  0.3378  0.6622  1.0
]