# generated using pymatgen
data_TiNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44317758
_cell_length_b   5.44317887
_cell_length_c   5.44317851
_cell_angle_alpha   54.71926988
_cell_angle_beta   54.71928209
_cell_angle_gamma   54.71897245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiO3
_chemical_formula_sum   'Ti2 Ni2 O6'
_cell_volume   100.00880325
_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  0.85188309  0.85187734  0.85187891  1.0
  Ti  Ti1  1  0.35187683  0.35188278  0.35187838  1.0
  Ni  Ni2  1  0.64696143  0.64696093  0.64696832  1.0
  Ni  Ni3  1  0.14696051  0.14696114  0.14696827  1.0
  O  O4  1  0.94691633  0.22690383  0.56603385  1.0
  O  O5  1  0.44691634  0.06602706  0.72689380  1.0
  O  O6  1  0.72690157  0.44691912  0.06603051  1.0
  O  O7  1  0.22690634  0.56603078  0.94691461  1.0
  O  O8  1  0.56603036  0.94691369  0.22689605  1.0
  O  O9  1  0.06602721  0.72690433  0.44691729  1.0