# generated using pymatgen
data_Ta2TiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71217203
_cell_length_b   5.71217203
_cell_length_c   7.47159990
_cell_angle_alpha   70.73226204
_cell_angle_beta   70.73226204
_cell_angle_gamma   73.65317614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiO6
_chemical_formula_sum   'Ta4 Ti2 O12'
_cell_volume   213.13194205
_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
  Ta  Ta0  1  0.82880500  0.82880500  0.67145700  1.0
  Ta  Ta1  1  0.82141800  0.82141800  0.17319200  1.0
  Ta  Ta2  1  0.17119500  0.17119500  0.32854300  1.0
  Ta  Ta3  1  0.17858200  0.17858200  0.82680800  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.12477000  0.53214100  0.17153100  1.0
  O  O7  1  0.80643500  0.19356500  0.50000000  1.0
  O  O8  1  0.39826100  0.39826100  0.80510200  1.0
  O  O9  1  0.73883700  0.73883700  0.46644500  1.0
  O  O10  1  0.06565900  0.06565900  0.12922200  1.0
  O  O11  1  0.26116300  0.26116300  0.53355500  1.0
  O  O12  1  0.60173900  0.60173900  0.19489800  1.0
  O  O13  1  0.93434100  0.93434100  0.87077800  1.0
  O  O14  1  0.87523000  0.46785900  0.82846900  1.0
  O  O15  1  0.19356500  0.80643500  0.50000000  1.0
  O  O16  1  0.53214100  0.12477000  0.17153100  1.0
  O  O17  1  0.46785900  0.87523000  0.82846900  1.0