data_[Pb2Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7637]
_cell_length_b [5.6647]
_cell_length_c [6.9740]
_cell_angle_alpha [88.2110]
_cell_angle_beta [82.5115]
_cell_angle_gamma [89.3265]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbAuO2]
_chemical_formula_sum '[Pb2 Au2 O4]'
_cell_volume [147.3417]
_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
[
  Pb  Pb0  2  0.3137  0.4970  0.2628  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  1  0.0000  0.0000  0.5000  1.0
  O  O3  2  0.1098  0.8234  0.7484  1.0
  O  O4  2  0.2103  0.3135  0.5668  1.0
]