data_[Li2Ta2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1384]
_cell_length_b [5.2527]
_cell_length_c [5.3640]
_cell_angle_alpha [76.6624]
_cell_angle_beta [65.0523]
_cell_angle_gamma [79.9740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTaO3]
_chemical_formula_sum '[Li2 Ta2 O6]'
_cell_volume [127.2423]
_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  2  0.2065  0.4532  0.6615  1.0
  Ta  Ta1  2  0.3286  0.0210  0.3139  1.0
  O  O2  2  0.0239  0.7719  0.4498  1.0
  O  O3  2  0.3351  0.1952  0.9518  1.0
  O  O4  2  0.4540  0.7596  0.6083  1.0
]