# generated using pymatgen
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74977800
_cell_length_b   5.11723900
_cell_length_c   8.83457100
_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   214.73086722
_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  0.55824100  0.55108100  0.25000000  1
  Ta  Ta5  1  0.94175900  0.05108100  0.25000000  1
  Ta  Ta6  1  0.44175900  0.44891900  0.75000000  1
  Ta  Ta7  1  0.05824100  0.94891900  0.75000000  1
  O  O8  1  0.30146900  0.87970100  0.25000000  1
  O  O9  1  0.19853100  0.37970100  0.25000000  1
  O  O10  1  0.69853100  0.12029900  0.75000000  1
  O  O11  1  0.80146900  0.62029900  0.75000000  1
  O  O12  1  0.78898800  0.79316300  0.10591800  1
  O  O13  1  0.71101200  0.29316300  0.39408200  1
  O  O14  1  0.21101200  0.20683700  0.60591800  1
  O  O15  1  0.28898800  0.70683700  0.89408200  1
  O  O16  1  0.21101200  0.20683700  0.89408200  1
  O  O17  1  0.28898800  0.70683700  0.60591800  1
  O  O18  1  0.78898800  0.79316300  0.39408200  1
  O  O19  1  0.71101200  0.29316300  0.10591800  1
