# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46158748
_cell_length_b   5.46159281
_cell_length_c   5.46159384
_cell_angle_alpha   138.31548322
_cell_angle_beta   136.93195602
_cell_angle_gamma   61.48682782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li1 Ti1 Fe1 O4'
_cell_volume   73.14369690
_cell_formula_units_Z   1
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
  Li  Li0  1  0.45550900  0.45550900  0.00000000  1
  Ti  Ti1  1  0.74032500  0.24032700  0.49999800  1
  Fe  Fe2  1  0.99959700  0.99959700  0.00000000  1
  O  O3  1  0.53156300  0.03156300  0.50000000  1
  O  O4  1  0.21996000  0.21995900  0.00000100  1
  O  O5  1  0.95488200  0.45488200  0.50000000  1
  O  O6  1  0.77673500  0.77673500  0.00000000  1
