data_[La6Au2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5029]
_cell_length_b [6.7590]
_cell_length_c [7.9118]
_cell_angle_alpha [102.5239]
_cell_angle_beta [99.5368]
_cell_angle_gamma [118.1891]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La3AuO]
_chemical_formula_sum '[La6 Au2 O2]'
_cell_volume [284.3086]
_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
[
  La  La0  1  0.0436  0.5764  0.3028  1.0
  La  La1  1  0.3860  0.2040  0.3170  1.0
  La  La2  1  0.4079  0.1691  0.8463  1.0
  La  La3  1  0.5709  0.7955  0.0307  1.0
  La  La4  1  0.7454  0.9166  0.5401  1.0
  La  La5  1  0.9063  0.5564  0.7706  1.0
  Au  Au6  1  0.0019  0.2145  0.9622  1.0
  Au  Au7  1  0.2601  0.4428  0.6257  1.0
  O  O8  1  0.4415  0.8690  0.2964  1.0
  O  O9  1  0.7666  0.5658  0.4632  1.0
]