data_InAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAuO2
_chemical_formula_sum   'In2 Au2 O4'
_cell_volume   123.43
_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
  In  In0  1  0.0  0.0  0.28  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.95  0.14  1.0
  Au  Au3  1  0.68  0.97  0.41  1.0
  O  O4  1  0.68  0.97  0.49  1.0
  O  O5  1  0.0  0.95  0.22  1.0
  O  O6  1  0.68  0.97  0.33  1.0
  O  O7  1  0.0  0.95  0.06  1.0

data_InAuO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAuO2
_chemical_formula_sum   'In2 Au2 O4'
_cell_volume   123.43
_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
  In  In0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.28  1.0
  Au  Au2  1  0.0  0.95  0.14  1.0
  Au  Au3  1  0.68  0.97  0.41  1.0
  O  O4  1  0.0  0.95  0.06  1.0
  O  O5  1  0.0  0.95  0.22  1.0
  O  O6  1  0.68  0.97  0.33  1.0
  O  O7  1  0.68  0.97  0.49  1.0

In In Au Au O O O O