data_[Li1La3B2O8]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2274]
_cell_length_b [5.2274]
_cell_length_c [6.6276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiLa3(BO4)2]
_chemical_formula_sum '[Li1 La3 B2 O8]'
_cell_volume [156.8412]
_cell_formula_units_Z [1]
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  0.0000  0.5000  1.0
  La  La1  2  0.3333  0.6667  0.3416  1.0
  La  La2  1  0.0000  0.0000  0.0000  1.0
  B  B3  2  0.3333  0.6667  0.7835  1.0
  O  O4  6  0.1793  0.3585  0.6982  1.0
  O  O5  2  0.3333  0.6667  0.0034  1.0
]