data_[La12Au8O4]
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 [C2/c]
_cell_length_a [11.9377]
_cell_length_b [7.3371]
_cell_length_c [7.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Au2O]
_chemical_formula_sum '[La12 Au8 O4]'
_cell_volume [631.9150]
_cell_formula_units_Z [4]
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  8  0.1393  0.0636  0.9733  1.0
  La  La1  4  0.0000  0.4064  0.2500  1.0
  Au  Au2  8  0.1733  0.3245  0.6482  1.0
  O  O3  4  0.0000  0.0880  0.2500  1.0
]