data_[Pt6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [21.7115]
_cell_length_b [4.6740]
_cell_length_c [4.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PtO]
_chemical_formula_sum '[Pt6 O6]'
_cell_volume [450.9964]
_cell_formula_units_Z [6]
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
[
  Pt  Pt0  4  0.3454  0.6429  0.9624  1
  Pt  Pt1  2  0.5000  0.0000  0.5000  1
  O  O2  4  0.4132  0.0980  0.4940  1
  O  O3  2  0.5000  0.0000  0.0000  1
]