data_[Pb2Au1O5]
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 [P1]
_cell_length_a [4.3076]
_cell_length_b [6.0199]
_cell_length_c [6.3386]
_cell_angle_alpha [93.8156]
_cell_angle_beta [107.6975]
_cell_angle_gamma [109.5290]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pb2AuO5]
_chemical_formula_sum '[Pb2 Au1 O5]'
_cell_volume [144.9705]
_cell_formula_units_Z [1]
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  1  0.8431  0.3800  0.0050  1.0
  Pb  Pb1  1  0.9943  0.9662  0.5882  1.0
  Au  Au2  1  0.0887  0.9553  0.1080  1.0
  O  O3  1  0.0137  0.1939  0.3044  1.0
  O  O4  1  0.0617  0.7079  0.8649  1.0
  O  O5  1  0.2596  0.2333  0.9514  1.0
  O  O6  1  0.5889  0.0915  0.6851  1.0
  O  O7  1  0.9270  0.6949  0.2700  1.0
]