data_[Li2La4Se2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5980]
_cell_length_b [5.7102]
_cell_length_c [7.8840]
_cell_angle_alpha [89.7541]
_cell_angle_beta [89.7518]
_cell_angle_gamma [89.6067]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiLa2SeO6]
_chemical_formula_sum '[Li2 La4 Se2 O12]'
_cell_volume [252.0103]
_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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.0000  1.0
  La  La2  2  0.0167  0.0514  0.7571  1.0
  La  La3  2  0.4998  0.4540  0.2411  1.0
  Se  Se4  1  0.0000  0.5000  0.0000  1.0
  Se  Se5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0782  0.5262  0.2545  1.0
  O  O7  2  0.1970  0.7987  0.9583  1.0
  O  O8  2  0.2448  0.8098  0.5469  1.0
  O  O9  2  0.3025  0.3030  0.9630  1.0
  O  O10  2  0.3140  0.2597  0.5484  1.0
  O  O11  2  0.4122  0.0196  0.2768  1.0
]