# generated using pymatgen
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47684766
_cell_length_b   5.47684776
_cell_length_c   5.47684736
_cell_angle_alpha   55.89940507
_cell_angle_beta   55.89940795
_cell_angle_gamma   55.89941377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaO3
_chemical_formula_sum   'Li2 Ta2 O6'
_cell_volume   105.12489484
_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  0.28322578  0.28322578  0.28322578  1.0
  Li  Li1  1  0.78322578  0.78322578  0.78322578  1.0
  Ta  Ta2  1  0.99946465  0.99946465  0.99946465  1.0
  Ta  Ta3  1  0.49946465  0.49946465  0.49946465  1.0
  O  O4  1  0.61431885  0.22446262  0.86672709  1.0
  O  O5  1  0.72446262  0.11431885  0.36672709  1.0
  O  O6  1  0.11431885  0.36672709  0.72446262  1.0
  O  O7  1  0.36672709  0.72446262  0.11431885  1.0
  O  O8  1  0.86672709  0.61431885  0.22446262  1.0
  O  O9  1  0.22446262  0.86672709  0.61431885  1.0
