# generated using pymatgen
data_Ti3Al2NiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04613271
_cell_length_b   8.04613271
_cell_length_c   8.04613271
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2NiO
_chemical_formula_sum   'Ti12 Al8 Ni4 O4'
_cell_volume   368.33804269
_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  0.56558400  0.93441600  0.56558400  1.0
  Ti  Ti1  1  0.31558400  0.68441600  0.68441600  1.0
  Ti  Ti2  1  0.68441600  0.31558400  0.31558400  1.0
  Ti  Ti3  1  0.31558400  0.68441600  0.31558400  1.0
  Ti  Ti4  1  0.68441600  0.68441600  0.31558400  1.0
  Ti  Ti5  1  0.31558400  0.31558400  0.68441600  1.0
  Ti  Ti6  1  0.56558400  0.56558400  0.93441600  1.0
  Ti  Ti7  1  0.93441600  0.56558400  0.56558400  1.0
  Ti  Ti8  1  0.56558400  0.93441600  0.93441600  1.0
  Ti  Ti9  1  0.93441600  0.93441600  0.56558400  1.0
  Ti  Ti10  1  0.68441600  0.31558400  0.68441600  1.0
  Ti  Ti11  1  0.93441600  0.56558400  0.93441600  1.0
  Al  Al12  1  0.33290100  0.33290100  0.33290100  1.0
  Al  Al13  1  0.24870400  0.91709900  0.91709900  1.0
  Al  Al14  1  0.91709900  0.24870400  0.91709900  1.0
  Al  Al15  1  0.91709900  0.91709900  0.24870400  1.0
  Al  Al16  1  0.33290100  0.00129600  0.33290100  1.0
  Al  Al17  1  0.33290100  0.33290100  0.00129600  1.0
  Al  Al18  1  0.00129600  0.33290100  0.33290100  1.0
  Al  Al19  1  0.91709900  0.91709900  0.91709900  1.0
  Ni  Ni20  1  0.12500000  0.12500000  0.12500000  1.0
  Ni  Ni21  1  0.62500000  0.12500000  0.12500000  1.0
  Ni  Ni22  1  0.12500000  0.62500000  0.12500000  1.0
  Ni  Ni23  1  0.12500000  0.12500000  0.62500000  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