# generated using pymatgen
data_Ba2TiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76233929
_cell_length_b   5.76233929
_cell_length_c   14.19783700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiFeO6
_chemical_formula_sum   'Ba6 Ti3 Fe3 O18'
_cell_volume   408.27285449
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.66666700  0.33333300  0.59111400  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.40810600  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.09051000  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.90604000  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.74676100  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.25173900  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.14964500  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.49972700  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.99406000  1.0
  Fe  Fe9  1  0.66666700  0.33333300  0.34474000  1.0
  Fe  Fe10  1  0.33333300  0.66666700  0.65516100  1.0
  Fe  Fe11  1  0.33333300  0.66666700  0.84622700  1.0
  O  O12  1  0.16388100  0.32776100  0.58015200  1.0
  O  O13  1  0.16388100  0.83611900  0.58015200  1.0
  O  O14  1  0.67223900  0.83611900  0.58015200  1.0
  O  O15  1  0.83454700  0.66909500  0.41987900  1.0
  O  O16  1  0.83454700  0.16545300  0.41987900  1.0
  O  O17  1  0.33090500  0.16545300  0.41987900  1.0
  O  O18  1  0.83256300  0.66512600  0.08294800  1.0
  O  O19  1  0.83256300  0.16743700  0.08294800  1.0
  O  O20  1  0.33487400  0.16743700  0.08294800  1.0
  O  O21  1  0.16266000  0.32532100  0.92254100  1.0
  O  O22  1  0.16266000  0.83734000  0.92254100  1.0
  O  O23  1  0.67467900  0.83734000  0.92254100  1.0
  O  O24  1  0.48430500  0.96860900  0.74775100  1.0
  O  O25  1  0.48430500  0.51569500  0.74775100  1.0
  O  O26  1  0.03139100  0.51569500  0.74775100  1.0
  O  O27  1  0.51784900  0.03569900  0.25250300  1.0
  O  O28  1  0.51784900  0.48215100  0.25250300  1.0
  O  O29  1  0.96430100  0.48215100  0.25250300  1.0