# generated using pymatgen
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31782924
_cell_length_b   11.31782924
_cell_length_c   9.93698819
_cell_angle_alpha   64.83948640
_cell_angle_beta   64.83948640
_cell_angle_gamma   19.34472988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2O5
_chemical_formula_sum   'Ti4 Fe8 O20'
_cell_volume   380.40694071
_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  0.28082100  0.28082100  0.85142300  1.0
  Ti  Ti1  1  0.12278000  0.12278000  0.06153900  1.0
  Ti  Ti2  1  0.87722000  0.87722000  0.93846100  1.0
  Ti  Ti3  1  0.71917900  0.71917900  0.14857700  1.0
  Fe  Fe4  1  0.96793500  0.96793500  0.17406700  1.0
  Fe  Fe5  1  0.78277400  0.78277400  0.36090300  1.0
  Fe  Fe6  1  0.62438000  0.62438000  0.56618800  1.0
  Fe  Fe7  1  0.03206500  0.03206500  0.82593300  1.0
  Fe  Fe8  1  0.47251700  0.47251700  0.66358600  1.0
  Fe  Fe9  1  0.37562000  0.37562000  0.43381200  1.0
  Fe  Fe10  1  0.21722600  0.21722600  0.63909700  1.0
  Fe  Fe11  1  0.52748300  0.52748300  0.33641400  1.0
  O  O12  1  0.53495100  0.53495100  0.77406500  1.0
  O  O13  1  0.44102400  0.44102400  0.51135200  1.0
  O  O14  1  0.46504900  0.46504900  0.22593500  1.0
  O  O15  1  0.12444700  0.12444700  0.63693900  1.0
  O  O16  1  0.78532200  0.78532200  0.90197600  1.0
  O  O17  1  0.28603000  0.28603000  0.40812500  1.0
  O  O18  1  0.80767900  0.80767900  0.13992200  1.0
  O  O19  1  0.21467800  0.21467800  0.09802400  1.0
  O  O20  1  0.93919300  0.93919300  0.01238000  1.0
  O  O21  1  0.95660300  0.95660300  0.73725100  1.0
  O  O22  1  0.87555300  0.87555300  0.36306100  1.0
  O  O23  1  0.69121600  0.69121600  0.34624500  1.0
  O  O24  1  0.30878400  0.30878400  0.65375500  1.0
  O  O25  1  0.71397000  0.71397000  0.59187500  1.0
  O  O26  1  0.55897600  0.55897600  0.48864800  1.0
  O  O27  1  0.19232100  0.19232100  0.86007800  1.0
  O  O28  1  0.63175200  0.63175200  0.11482700  1.0
  O  O29  1  0.04339700  0.04339700  0.26274900  1.0
  O  O30  1  0.06080700  0.06080700  0.98762000  1.0
  O  O31  1  0.36824800  0.36824800  0.88517300  1.0