# generated using pymatgen
data_TaTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62709756
_cell_length_b   5.62709610
_cell_length_c   5.62717425
_cell_angle_alpha   107.22686728
_cell_angle_beta   107.22797662
_cell_angle_gamma   114.05832773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiO4
_chemical_formula_sum   'Ta2 Ti2 O8'
_cell_volume   136.49854984
_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  0.75971287  0.25970913  0.50000122  1.0
  Ta  Ta1  1  0.50971287  0.50971483  0.00000428  1.0
  Ti  Ti2  1  0.24768250  0.74768173  0.49999956  1.0
  Ti  Ti3  1  0.99767491  0.99767716  -0.00000405  1.0
  O  O4  1  0.94124261  0.73741147  0.20379741  1.0
  O  O5  1  0.45775592  0.25886731  0.19886030  1.0
  O  O6  1  0.98741188  0.28353379  0.29616572  1.0
  O  O7  1  0.50891569  0.81002974  0.30112805  1.0
  O  O8  1  0.50890171  0.20779500  0.69886556  1.0
  O  O9  1  0.98737263  0.69124284  0.70384102  1.0
  O  O10  1  0.06000382  0.25888516  0.80113329  1.0
  O  O11  1  0.53361260  0.73745085  0.79620865  1.0