# generated using pymatgen
data_Li3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01669406
_cell_length_b   10.12452695
_cell_length_c   5.84101443
_cell_angle_alpha   73.16754769
_cell_angle_beta   90.00557640
_cell_angle_gamma   79.35356030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeO4
_chemical_formula_sum   'Li12 Fe4 O16'
_cell_volume   278.62243248
_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
  Li  Li0  1  0.24604100  0.75019900  0.37828000  1
  Li  Li1  1  0.24693900  0.74984700  0.87840300  1
  Li  Li2  1  0.75394300  0.25421900  0.12649900  1
  Li  Li3  1  0.74133600  0.24564600  0.63014400  1
  Li  Li4  1  0.99951300  0.99874900  0.00496900  1
  Li  Li5  1  0.99955800  0.99882700  0.50263200  1
  Li  Li6  1  0.50119700  0.49973900  0.75286500  1
  Li  Li7  1  0.50119900  0.49967700  0.25372000  1
  Li  Li8  1  0.24967100  0.24888600  0.87922700  1
  Li  Li9  1  0.24967100  0.24887600  0.37810100  1
  Li  Li10  1  0.74895000  0.74832300  0.62616400  1
  Li  Li11  1  0.74863700  0.74818900  0.13182500  1
  Fe  Fe12  1  0.49402100  0.99857200  0.75401800  1
  Fe  Fe13  1  0.00588500  0.49940500  0.00358000  1
  Fe  Fe14  1  0.50193000  0.99826600  0.25414300  1
  Fe  Fe15  1  0.99919100  0.49947600  0.50361600  1
  O  O16  1  0.61343500  0.11249200  0.93410900  1
  O  O17  1  0.61358500  0.11262100  0.46028000  1
  O  O18  1  0.11664400  0.61437200  0.70717800  1
  O  O19  1  0.11650500  0.61425400  0.18536000  1
  O  O20  1  0.88742100  0.38527500  0.82387100  1
  O  O21  1  0.88729500  0.38509000  0.29765100  1
  O  O22  1  0.38398400  0.88347600  0.57262600  1
  O  O23  1  0.38388600  0.88334200  0.05076400  1
  O  O24  1  0.84300200  0.88480400  0.31130400  1
  O  O25  1  0.83853300  0.88345000  0.81203000  1
  O  O26  1  0.34767300  0.38499200  0.06115200  1
  O  O27  1  0.33949000  0.38592000  0.56068300  1
  O  O28  1  0.16178200  0.11169500  0.19718900  1
  O  O29  1  0.15247600  0.11289700  0.69653300  1
  O  O30  1  0.66206800  0.61433600  0.94572300  1
  O  O31  1  0.65845500  0.61237100  0.44677300  1
