# generated using pymatgen
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08165942
_cell_length_b   5.08165942
_cell_length_c   5.68245500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.74712372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaO3
_chemical_formula_sum   'Li2 Ta2 O6'
_cell_volume   145.72326093
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Ta  Ta2  1  0.92059700  0.07940300  0.75000000  1
  Ta  Ta3  1  0.07940300  0.92059700  0.25000000  1
  O  O4  1  0.68308500  0.31691500  0.75000000  1
  O  O5  1  0.31691500  0.68308500  0.25000000  1
  O  O6  1  0.18677200  0.18677200  0.00000000  1
  O  O7  1  0.81322800  0.81322800  0.50000000  1
  O  O8  1  0.81322800  0.81322800  0.00000000  1
  O  O9  1  0.18677200  0.18677200  0.50000000  1
