# generated using pymatgen
data_TiNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61493643
_cell_length_b   5.61493643
_cell_length_c   5.61493634
_cell_angle_alpha   52.47920532
_cell_angle_beta   52.47920532
_cell_angle_gamma   52.47920562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiO6
_chemical_formula_sum   'Ti1 Ni1 O6'
_cell_volume   103.07347570
_cell_formula_units_Z   1
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  0.13791100  0.13791100  0.13791100  1.0
  Ni  Ni1  1  0.34779300  0.34779300  0.34779300  1.0
  O  O2  1  0.99923400  0.25427300  0.51435500  1.0
  O  O3  1  0.51435500  0.99923400  0.25427300  1.0
  O  O4  1  0.25427300  0.51435500  0.99923400  1.0
  O  O5  1  0.73287100  0.40189100  0.11887200  1.0
  O  O6  1  0.40189100  0.11887200  0.73287100  1.0
  O  O7  1  0.11887200  0.73287100  0.40189100  1.0