# generated using pymatgen
data_Li2TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98667314
_cell_length_b   6.01202484
_cell_length_c   10.33113978
_cell_angle_alpha   89.69048642
_cell_angle_beta   106.47599099
_cell_angle_gamma   120.21337091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiFe3O8
_chemical_formula_sum   'Li4 Ti2 Fe6 O16'
_cell_volume   303.87299565
_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  0.11612800  0.06923300  0.18850100  1
  Li  Li1  1  0.12387100  0.55994500  0.68877700  1
  Li  Li2  1  0.87600500  0.44017600  0.31123700  1
  Li  Li3  1  0.88394700  0.93054300  0.81140500  1
  Ti  Ti4  1  0.50651100  0.22833600  0.75009100  1
  Ti  Ti5  1  0.49413400  0.77208200  0.25003800  1
  Fe  Fe6  1  0.49993700  0.99977900  0.99990000  1
  Fe  Fe7  1  0.00012400  0.00024500  0.50010900  1
  Fe  Fe8  1  0.00014100  0.49990000  0.00015100  1
  Fe  Fe9  1  0.49959200  0.00000400  0.49988200  1
  Fe  Fe10  1  0.49998900  0.49982000  0.00001500  1
  Fe  Fe11  1  0.49988100  0.50017700  0.49997300  1
  O  O12  1  0.27086200  0.14594700  0.39650600  1
  O  O13  1  0.25317800  0.62851300  0.89653100  1
  O  O14  1  0.74677900  0.37104900  0.10345000  1
  O  O15  1  0.72881400  0.85416400  0.60348600  1
  O  O16  1  0.71883100  0.35178400  0.62437600  1
  O  O17  1  0.70890300  0.84966600  0.12513100  1
  O  O18  1  0.26190700  0.90624000  0.62408100  1
  O  O19  1  0.24427700  0.41016400  0.11640700  1
  O  O20  1  0.27966600  0.36685100  0.61862600  1
  O  O21  1  0.26762000  0.86943600  0.12559600  1
  O  O22  1  0.73246600  0.13034000  0.87432000  1
  O  O23  1  0.72028500  0.63343800  0.38139400  1
  O  O24  1  0.75589700  0.58965700  0.88371300  1
  O  O25  1  0.73793700  0.09394000  0.37591600  1
  O  O26  1  0.29125300  0.15014600  0.87484000  1
  O  O27  1  0.28106500  0.64842400  0.37554600  1
