data_[La6Al2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0685]
_cell_length_b [6.6331]
_cell_length_c [6.7154]
_cell_angle_alpha [87.5852]
_cell_angle_beta [84.1266]
_cell_angle_gamma [73.7883]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3AlO]
_chemical_formula_sum '[La6 Al2 O2]'
_cell_volume [258.1789]
_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  0.1837  0.1012  0.7968  1
  La  La1  2  0.1839  0.2762  0.2753  1
  La  La2  2  0.3502  0.7146  0.4008  1
  Al  Al3  2  0.3049  0.6124  0.9280  1
  O  O4  1  0.0000  0.0000  0.5000  1
  O  O5  1  0.5000  0.0000  0.5000  1
]