data_[Li40La24Ta16O96]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.1075]
_cell_length_b [13.1075]
_cell_length_c [13.1075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Li5La3Ta2O12]
_chemical_formula_sum '[Li40 La24 Ta16 O96]'
_cell_volume [2251.9784]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Li  Li1  16  0.1250  0.1250  0.1250  1
  La  La2  24  0.0000  0.2500  0.1250  1
  Ta  Ta3  16  0.0000  0.0000  0.0000  1
  O  O4  96  0.0211  0.0540  0.6441  1
]