# generated using pymatgen
data_Li3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97652169
_cell_length_b   7.65064017
_cell_length_c   7.65312180
_cell_angle_alpha   63.94716952
_cell_angle_beta   112.99684869
_cell_angle_gamma   113.00416142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeO4
_chemical_formula_sum   'Li12 Fe4 O16'
_cell_volume   279.03966005
_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  0.37463000  0.87568400  0.37684600  1.0
  Li  Li1  1  0.62700100  0.12808600  0.62898900  1.0
  Li  Li2  1  0.86659200  0.36751200  0.86864600  1.0
  Li  Li3  1  0.11888900  0.61973100  0.12107200  1.0
  Li  Li4  1  0.74756100  0.74856600  0.74794000  1.0
  Li  Li5  1  0.99346900  0.00122800  0.99544000  1.0
  Li  Li6  1  0.24790800  0.24874300  0.24809300  1.0
  Li  Li7  1  0.50233500  0.49606200  0.50076800  1.0
  Li  Li8  1  0.74602600  0.24881800  0.24773100  1.0
  Li  Li9  1  0.99157200  0.49603400  0.50024500  1.0
  Li  Li10  1  0.24573700  0.74863200  0.74747400  1.0
  Li  Li11  1  0.50043300  0.00141000  0.99514900  1.0
  Fe  Fe12  1  0.12372500  0.12576900  0.62513100  1.0
  Fe  Fe13  1  0.36972100  0.37171400  0.87098700  1.0
  Fe  Fe14  1  0.87252600  0.87436100  0.37432200  1.0
  Fe  Fe15  1  0.62080800  0.62260800  0.12238300  1.0
  O  O16  1  0.21473000  0.99088400  0.48945700  1.0
  O  O17  1  0.48364000  0.24901000  0.74806100  1.0
  O  O18  1  0.73143400  0.50742000  0.00611900  1.0
  O  O19  1  0.96427500  0.74921500  0.24765000  1.0
  O  O20  1  0.27856300  0.50737400  0.00583200  1.0
  O  O21  1  0.52895000  0.74914200  0.24762300  1.0
  O  O22  1  0.76187500  0.99058200  0.48946300  1.0
  O  O23  1  0.00979000  0.24872000  0.74775200  1.0
  O  O24  1  0.37005000  0.60090200  0.64249500  1.0
  O  O25  1  0.62109100  0.85312100  0.89242600  1.0
  O  O26  1  0.87271700  0.10452100  0.14394500  1.0
  O  O27  1  0.12377100  0.35447000  0.39598000  1.0
  O  O28  1  0.37005200  0.14373400  0.09963900  1.0
  O  O29  1  0.62100000  0.39389700  0.35139100  1.0
  O  O30  1  0.87236600  0.64516400  0.60253100  1.0
  O  O31  1  0.12336500  0.89692500  0.85283500  1.0