# generated using pymatgen
data_TiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04364651
_cell_length_b   5.54176861
_cell_length_c   5.04364467
_cell_angle_alpha   117.06824508
_cell_angle_beta   120.00119235
_cell_angle_gamma   62.93141434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVO3
_chemical_formula_sum   'Ti2 V2 O6'
_cell_volume   103.87320060
_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
  Ti  Ti0  1  0.85023439  0.44929893  0.14974625  1.0
  Ti  Ti1  1  0.35024134  0.94931883  0.64977041  1.0
  V  V2  1  0.65238135  0.04281640  0.34761577  1.0
  V  V3  1  0.15238226  0.54281432  0.84761794  1.0
  O  O4  1  0.06955844  0.75264501  0.26742891  1.0
  O  O5  1  0.73255325  0.75260037  0.55474166  1.0
  O  O6  1  0.44525647  0.75261584  0.93043309  1.0
  O  O7  1  0.23255066  0.25266120  0.43043943  1.0
  O  O8  1  0.56957944  0.25262318  0.05474171  1.0
  O  O9  1  0.94526140  0.25260593  0.76746582  1.0