data_[Ni1Au3O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2527]
_cell_length_b [3.1504]
_cell_length_c [6.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ni(AuO2)3]
_chemical_formula_sum '[Ni1 Au3 O6]'
_cell_volume [130.8829]
_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
[
  Ni  Ni0  1  0.5000  0.0000  0.5000  1
  Au  Au1  1  0.0000  0.0000  0.0000  1
  Au  Au2  1  0.0000  0.5000  0.5000  1
  Au  Au3  1  0.5000  0.5000  0.0000  1
  O  O4  2  0.0262  0.0000  0.7046  1
  O  O5  2  0.3340  0.5000  0.5495  1
  O  O6  2  0.3401  0.0000  0.1002  1
]