# generated using pymatgen
data_TaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85004790
_cell_length_b   6.85004790
_cell_length_c   6.85004790
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaO3
_chemical_formula_sum   'Ta4 O12'
_cell_volume   247.43374859
_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
  Ta  Ta0  1  0.50000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.00000000  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.50000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.98838500  0.74430300  0.24408200  1.0
  O  O5  1  0.25569700  0.75591800  0.01161500  1.0
  O  O6  1  0.49977900  0.25569700  0.24408200  1.0
  O  O7  1  0.75591800  0.01161500  0.25569700  1.0
  O  O8  1  0.74430300  0.75591800  0.50022100  1.0
  O  O9  1  0.24408200  0.49977900  0.25569700  1.0
  O  O10  1  0.75591800  0.50022100  0.74430300  1.0
  O  O11  1  0.25569700  0.24408200  0.49977900  1.0
  O  O12  1  0.24408200  0.98838500  0.74430300  1.0
  O  O13  1  0.50022100  0.74430300  0.75591800  1.0
  O  O14  1  0.74430300  0.24408200  0.98838500  1.0
  O  O15  1  0.01161500  0.25569700  0.75591800  1.0