# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93292606
_cell_length_b   5.93982787
_cell_length_c   5.93982787
_cell_angle_alpha   60.45112557
_cell_angle_beta   60.62312655
_cell_angle_gamma   60.62312655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li2 Ti2 Fe2 O8'
_cell_volume   149.90454163
_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
  Li  Li0  1  0.62502100  0.62595100  0.62595100  1
  Li  Li1  1  0.24902700  0.24534700  0.24534700  1
  Ti  Ti2  1  0.61644900  0.62668300  0.14419300  1
  Ti  Ti3  1  0.61644900  0.14419300  0.62668300  1
  Fe  Fe4  1  0.12641100  0.62346300  0.62346300  1
  Fe  Fe5  1  0.00509700  0.00770900  0.00770900  1
  O  O6  1  0.86380000  0.87164100  0.87164100  1
  O  O7  1  0.39931500  0.87242000  0.87242000  1
  O  O8  1  0.87054000  0.87477400  0.39867900  1
  O  O9  1  0.87054000  0.39867900  0.87477400  1
  O  O10  1  0.39610800  0.37737600  0.37737600  1
  O  O11  1  0.83946600  0.37486700  0.37486700  1
  O  O12  1  0.38588800  0.36760900  0.83928600  1
  O  O13  1  0.38588800  0.83928600  0.36760900  1
