# generated using pymatgen
data_Ti3Ni3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77024085
_cell_length_b   7.77024085
_cell_length_c   7.77024085
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ni3O
_chemical_formula_sum   'Ti12 Ni12 O4'
_cell_volume   331.73282323
_cell_formula_units_Z   4
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  0.69372200  0.30627800  0.69372200  1.0
  Ti  Ti1  1  0.94372200  0.55627800  0.55627800  1.0
  Ti  Ti2  1  0.55627800  0.94372200  0.94372200  1.0
  Ti  Ti3  1  0.94372200  0.55627800  0.94372200  1.0
  Ti  Ti4  1  0.55627800  0.55627800  0.94372200  1.0
  Ti  Ti5  1  0.94372200  0.94372200  0.55627800  1.0
  Ti  Ti6  1  0.69372200  0.69372200  0.30627800  1.0
  Ti  Ti7  1  0.30627800  0.69372200  0.69372200  1.0
  Ti  Ti8  1  0.69372200  0.30627800  0.30627800  1.0
  Ti  Ti9  1  0.30627800  0.30627800  0.69372200  1.0
  Ti  Ti10  1  0.55627800  0.94372200  0.55627800  1.0
  Ti  Ti11  1  0.30627800  0.69372200  0.30627800  1.0
  Ni  Ni12  1  0.12500000  0.12500000  0.12500000  1.0
  Ni  Ni13  1  0.62500000  0.12500000  0.12500000  1.0
  Ni  Ni14  1  0.12500000  0.62500000  0.12500000  1.0
  Ni  Ni15  1  0.12500000  0.12500000  0.62500000  1.0
  Ni  Ni16  1  0.33569300  0.33569300  0.33569300  1.0
  Ni  Ni17  1  0.25707800  0.91430700  0.91430700  1.0
  Ni  Ni18  1  0.91430700  0.25707800  0.91430700  1.0
  Ni  Ni19  1  0.91430700  0.91430700  0.25707800  1.0
  Ni  Ni20  1  0.33569300  0.99292200  0.33569300  1.0
  Ni  Ni21  1  0.33569300  0.33569300  0.99292200  1.0
  Ni  Ni22  1  0.99292200  0.33569300  0.33569300  1.0
  Ni  Ni23  1  0.91430700  0.91430700  0.91430700  1.0
  O  O24  1  0.62500000  0.62500000  0.62500000  1.0
  O  O25  1  0.12500000  0.62500000  0.62500000  1.0
  O  O26  1  0.62500000  0.12500000  0.62500000  1.0
  O  O27  1  0.62500000  0.62500000  0.12500000  1.0