data_[Li2Ta2O8]
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 [3.0674]
_cell_length_b [4.7118]
_cell_length_c [9.3482]
_cell_angle_alpha [89.5199]
_cell_angle_beta [86.2370]
_cell_angle_gamma [88.2785]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTaO4]
_chemical_formula_sum '[Li2 Ta2 O8]'
_cell_volume [134.7544]
_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  0.0000  1
  Li  Li1  1  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.4082  0.9817  0.7373  1
  O  O3  2  0.0691  0.7814  0.3352  1
  O  O4  2  0.0887  0.1878  0.1455  1
  O  O5  2  0.3886  0.7258  0.1095  1
  O  O6  2  0.4914  0.7262  0.5953  1
]