data_[La12Ru2Au4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9183]
_cell_length_b [7.6351]
_cell_length_c [12.4791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6RuAu2O]
_chemical_formula_sum '[La12 Ru2 Au4 O2]'
_cell_volume [557.3235]
_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  4  0.1157  0.2020  0.9440  1.0
  La  La1  4  0.2550  0.6803  0.9409  1.0
  La  La2  4  0.3683  0.0290  0.7430  1.0
  Ru  Ru3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  4  0.1840  0.0976  0.2378  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]