data_[Au2Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0364]
_cell_length_b [5.5454]
_cell_length_c [8.6628]
_cell_angle_alpha [93.6048]
_cell_angle_beta [103.4610]
_cell_angle_gamma [112.5690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AuSeO4]
_chemical_formula_sum '[Au2 Se2 O8]'
_cell_volume [214.1354]
_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
[
  Au  Au0  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  1  0.0000  0.5000  0.5000  1.0
  Se  Se2  2  0.4058  0.5495  0.2537  1.0
  O  O3  2  0.1703  0.2245  0.2278  1.0
  O  O4  2  0.2203  0.3997  0.6963  1.0
  O  O5  2  0.3653  0.7116  0.1060  1.0
  O  O6  2  0.3758  0.6904  0.4306  1.0
]