# generated using pymatgen
data_Ba3TiFe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77180050
_cell_length_b   5.77180050
_cell_length_c   14.11863600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3TiFe2O9
_chemical_formula_sum   'Ba6 Ti2 Fe4 O18'
_cell_volume   407.32960015
_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
  Ba  Ba0  1  0.66666700  0.33333300  0.40663200  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.59336800  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.91056700  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.08943300  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.24632800  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75367200  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.64909500  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.35090500  1.0
  Fe  Fe8  1  0.33333300  0.66666700  0.15656800  1.0
  Fe  Fe9  1  0.66666700  0.33333300  0.84343200  1.0
  Fe  Fe10  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.66012100  0.83006000  0.41688000  1.0
  O  O13  1  0.16994000  0.83006000  0.41688000  1.0
  O  O14  1  0.16994000  0.33987900  0.41688000  1.0
  O  O15  1  0.33987900  0.16994000  0.58312000  1.0
  O  O16  1  0.83006000  0.16994000  0.58312000  1.0
  O  O17  1  0.83006000  0.66012100  0.58312000  1.0
  O  O18  1  0.33500000  0.16750000  0.91839800  1.0
  O  O19  1  0.83250000  0.16750000  0.91839800  1.0
  O  O20  1  0.83250000  0.66500000  0.91839800  1.0
  O  O21  1  0.66500000  0.83250000  0.08160200  1.0
  O  O22  1  0.16750000  0.83250000  0.08160200  1.0
  O  O23  1  0.16750000  0.33500000  0.08160200  1.0
  O  O24  1  0.03621300  0.51810700  0.24554900  1.0
  O  O25  1  0.48189300  0.51810700  0.24554900  1.0
  O  O26  1  0.48189300  0.96378700  0.24554900  1.0
  O  O27  1  0.96378700  0.48189300  0.75445100  1.0
  O  O28  1  0.51810700  0.48189300  0.75445100  1.0
  O  O29  1  0.51810700  0.03621300  0.75445100  1.0