data_[La12O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7637]
_cell_length_b [3.7981]
_cell_length_c [9.2243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2O3]
_chemical_formula_sum '[La12 O18]'
_cell_volume [508.8999]
_cell_formula_units_Z [6]
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  0.0330  0.0000  0.8120  1.0
  La  La1  4  0.1345  0.5000  0.4925  1.0
  La  La2  4  0.1904  0.5000  0.1383  1.0
  O  O3  4  0.0258  0.5000  0.6566  1.0
  O  O4  4  0.1281  0.0000  0.2863  1.0
  O  O5  4  0.1759  0.0000  0.9749  1.0
  O  O6  4  0.2003  0.0000  0.6273  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]