data_[Nd96Pt24O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.7907]
_cell_length_b [15.7907]
_cell_length_c [15.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd12Pt3O5]
_chemical_formula_sum '[Nd96 Pt24 O40]'
_cell_volume [3937.3288]
_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  96  0.0340  0.0554  0.6504  1
  Pt  Pt1  24  0.0000  0.2500  0.1250  1
  O  O2  24  0.0000  0.2500  0.3750  1
  O  O3  16  0.0000  0.0000  0.0000  1
]