data_[La12Au4C2O2]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0014]
_cell_length_b [7.3680]
_cell_length_c [12.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Au2CO]
_chemical_formula_sum '[La12 Au4 C2 O2]'
_cell_volume [525.6776]
_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  0.1464  0.5248  0.2465  1.0
  La  La1  4  0.2457  0.2075  0.0479  1.0
  La  La2  4  0.3472  0.7052  0.0494  1.0
  Au  Au3  4  0.2866  0.5669  0.7526  1.0
  C  C4  2  0.0000  0.0000  0.5000  1.0
  O  O5  2  0.5000  0.0000  0.0000  1.0
]