# generated using pymatgen
data_Li3Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86516133
_cell_length_b   5.86516133
_cell_length_c   9.86604593
_cell_angle_alpha   89.71875767
_cell_angle_beta   89.71875767
_cell_angle_gamma   120.37816970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe3O8
_chemical_formula_sum   'Li6 Fe6 O16'
_cell_volume   292.78236409
_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  0.66828800  0.33668900  0.49887100  1
  Li  Li1  1  0.65867600  0.32608200  0.88522600  1
  Li  Li2  1  0.00615600  0.00715000  0.00162600  1
  Li  Li3  1  0.00715000  0.00615600  0.50162600  1
  Li  Li4  1  0.33668900  0.66828800  0.99887100  1
  Li  Li5  1  0.32608200  0.65867600  0.38522600  1
  Fe  Fe6  1  0.33780600  0.16863600  0.21471200  1
  Fe  Fe7  1  0.83137900  0.66324200  0.21566600  1
  Fe  Fe8  1  0.83103300  0.16797800  0.21591100  1
  Fe  Fe9  1  0.16797800  0.83103300  0.71591100  1
  Fe  Fe10  1  0.16863600  0.33780600  0.71471200  1
  Fe  Fe11  1  0.66324200  0.83137900  0.71566600  1
  O  O12  1  0.31195500  0.15992700  0.61288200  1
  O  O13  1  0.51329000  0.47877300  0.32130300  1
  O  O14  1  0.64358900  0.32154500  0.09959800  1
  O  O15  1  0.02278600  0.01092300  0.32044400  1
  O  O16  1  0.01092300  0.02278600  0.82044400  1
  O  O17  1  0.84752100  0.69405700  0.61483500  1
  O  O18  1  0.51124100  0.03094300  0.32182100  1
  O  O19  1  0.96270200  0.48088600  0.31932900  1
  O  O20  1  0.15740100  0.84904800  0.11169700  1
  O  O21  1  0.84904800  0.15740100  0.61169700  1
  O  O22  1  0.03094300  0.51124100  0.82182100  1
  O  O23  1  0.48088600  0.96270200  0.81932900  1
  O  O24  1  0.32154500  0.64358900  0.59959800  1
  O  O25  1  0.15992700  0.31195500  0.11288200  1
  O  O26  1  0.47877300  0.51329000  0.82130300  1
  O  O27  1  0.69405700  0.84752100  0.11483500  1
