data_[Nd4P8Pt8]
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 [I4/mmm]
_cell_length_a [4.2923]
_cell_length_b [4.2923]
_cell_length_c [19.4093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd(PPt)2]
_chemical_formula_sum '[Nd4 P8 Pt8]'
_cell_volume [357.6007]
_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  0.0000  0.0000  0.3745  1.0
  P  P1  4  0.0000  0.0000  0.0701  1.0
  P  P2  4  0.0000  0.5000  0.2500  1.0
  Pt  Pt3  4  0.0000  0.0000  0.1924  1.0
  Pt  Pt4  4  0.0000  0.5000  0.0000  1.0
]