data_[Li1Ta1V2O6]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1683]
_cell_length_b [5.1744]
_cell_length_c [5.5556]
_cell_angle_alpha [90.1119]
_cell_angle_beta [116.8072]
_cell_angle_gamma [119.4905]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTaV2O6]
_chemical_formula_sum '[Li1 Ta1 V2 O6]'
_cell_volume [110.5231]
_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  0.4112  0.2056  0.6136  1.0
  Ta  Ta1  1  0.3771  0.6851  0.0551  1.0
  V  V2  1  0.9680  0.4854  0.4529  1.0
  V  V3  1  0.9683  0.9886  0.9504  1.0
  O  O4  1  0.1459  0.7525  0.2247  1.0
  O  O5  1  0.1499  0.8687  0.7558  1.0
  O  O6  1  0.4606  0.5997  0.7467  1.0
  O  O7  1  0.4780  0.3992  0.2337  1.0
  O  O8  1  0.8312  0.0723  0.2286  1.0
  O  O9  1  0.8865  0.2812  0.7536  1.0
]