data_[Sc8Pt2O2]
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 [Pmmn]
_cell_length_a [4.5350]
_cell_length_b [8.2110]
_cell_length_c [6.2950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sc4PtO]
_chemical_formula_sum '[Sc8 Pt2 O2]'
_cell_volume [234.4067]
_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
[
  Sc  Sc0  4  0.0000  0.2000  0.6912  1.0
  Sc  Sc1  2  0.0000  0.0000  0.2339  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0893  1.0
  Pt  Pt3  2  0.0000  0.5000  0.5176  1.0
  O  O4  2  0.0000  0.0000  0.9041  1.0
]