data_[Nd6P8Pt8]
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 [C2/m]
_cell_length_a [24.7324]
_cell_length_b [4.1356]
_cell_length_c [4.1960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(PPt)4]
_chemical_formula_sum '[Nd6 P8 Pt8]'
_cell_volume [423.0176]
_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  0.1480  0.5000  0.1473  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.0475  0.5000  0.5490  1.0
  P  P3  4  0.1912  0.0000  0.6810  1.0
  Pt  Pt4  4  0.0938  0.0000  0.5941  1.0
  Pt  Pt5  4  0.2443  0.5000  0.7553  1.0
]