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 [P2_1]
_cell_length_a [6.7696]
_cell_length_b [5.4390]
_cell_length_c [7.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [La3AuO]
_chemical_formula_sum '[La6 Au2 O2]'
_cell_volume [280.3399]
_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  2  0.1198  0.3024  0.6857  1.0
  La  La1  2  0.2989  0.7884  0.0557  1.0
  La  La2  2  0.4403  0.7976  0.6232  1.0
  Au  Au3  2  0.0990  0.3074  0.2837  1.0
  O  O4  2  0.4091  0.5368  0.8602  1.0
]