data_[Sc96Pt24O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [14.1559]
_cell_length_b [14.1559]
_cell_length_c [14.1559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sc12Pt3O5]
_chemical_formula_sum '[Sc96 Pt24 O40]'
_cell_volume [2836.6696]
_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
[
  Sc  Sc0  96  0.0348  0.4462  0.1500  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
]