# generated using pymatgen
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92779300
_cell_length_b   6.41438200
_cell_length_c   8.54838500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaO3
_chemical_formula_sum   'Li4 Ta4 O12'
_cell_volume   270.20373632
_cell_formula_units_Z   4
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  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.00000000  0.00000000  1
  Ta  Ta4  1  0.46221400  0.68716600  0.25000000  1
  Ta  Ta5  1  0.03778600  0.18716600  0.25000000  1
  Ta  Ta6  1  0.53778600  0.31283400  0.75000000  1
  Ta  Ta7  1  0.96221400  0.81283400  0.75000000  1
  O  O8  1  0.31208500  0.96594200  0.25000000  1
  O  O9  1  0.18791500  0.46594200  0.25000000  1
  O  O10  1  0.68791500  0.03405800  0.75000000  1
  O  O11  1  0.81208500  0.53405800  0.75000000  1
  O  O12  1  0.81803500  0.18205400  0.08047100  1
  O  O13  1  0.68196500  0.68205400  0.41952900  1
  O  O14  1  0.18196500  0.81794600  0.58047100  1
  O  O15  1  0.31803500  0.31794600  0.91952900  1
  O  O16  1  0.18196500  0.81794600  0.91952900  1
  O  O17  1  0.31803500  0.31794600  0.58047100  1
  O  O18  1  0.81803500  0.18205400  0.41952900  1
  O  O19  1  0.68196500  0.68205400  0.08047100  1
