# generated using pymatgen
data_TiNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41866629
_cell_length_b   5.41869885
_cell_length_c   5.41867290
_cell_angle_alpha   55.29147001
_cell_angle_beta   55.29143615
_cell_angle_gamma   55.29128464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiO3
_chemical_formula_sum   'Ti2 Ni2 O6'
_cell_volume   100.19293107
_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  0.14383419  0.14383610  0.14383997  1.0
  Ti  Ti1  1  0.85616341  0.85616284  0.85616314  1.0
  Ni  Ni2  1  0.65055038  0.65055161  0.65055069  1.0
  Ni  Ni3  1  0.34944510  0.34944910  0.34945261  1.0
  O  O4  1  0.94682245  0.23413754  0.56116992  1.0
  O  O5  1  0.56117230  0.94678507  0.23414697  1.0
  O  O6  1  0.23415227  0.56115826  0.94679139  1.0
  O  O7  1  0.05318151  0.76586149  0.43882647  1.0
  O  O8  1  0.43883119  0.05321449  0.76585306  1.0
  O  O9  1  0.76584819  0.43884449  0.05320678  1.0