# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11403300
_cell_length_b   5.92958886
_cell_length_c   7.83227562
_cell_angle_alpha   79.01172643
_cell_angle_beta   77.50814256
_cell_angle_gamma   73.42268080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li6 Cr3 Fe3 O12'
_cell_volume   220.12757475
_cell_formula_units_Z   3
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  0.99657700  0.66745700  0.33298000  1
  Li  Li1  1  0.49881000  0.83383300  0.16754100  1
  Li  Li2  1  0.00380400  0.33200900  0.66678400  1
  Li  Li3  1  0.99948100  0.00074700  0.00002800  1
  Li  Li4  1  0.49991800  0.49961400  0.49932000  1
  Li  Li5  1  0.50117000  0.16642500  0.83326700  1
  Cr  Cr6  1  0.00000900  0.83546200  0.66445000  1
  Cr  Cr7  1  0.00004000  0.16504500  0.33494400  1
  Cr  Cr8  1  0.49976200  0.33078800  0.16930200  1
  Fe  Fe9  1  0.99994300  0.50009400  0.00008400  1
  Fe  Fe10  1  0.50012300  0.66922700  0.83081500  1
  Fe  Fe11  1  0.50017100  0.99985600  0.49987700  1
  O  O12  1  0.74108800  0.68693800  0.58730700  1
  O  O13  1  0.75744500  0.48235700  0.24448800  1
  O  O14  1  0.75923900  0.82106500  0.90796900  1
  O  O15  1  0.25847400  0.65126900  0.07816200  1
  O  O16  1  0.73777600  0.01518300  0.26260500  1
  O  O17  1  0.74083400  0.34681600  0.92471100  1
  O  O18  1  0.24576200  0.85260300  0.42597800  1
  O  O19  1  0.26024400  0.98739900  0.73742500  1
  O  O20  1  0.75446000  0.14774400  0.57369100  1
  O  O21  1  0.26164300  0.31161500  0.41063800  1
  O  O22  1  0.24118500  0.51654800  0.75491200  1
  O  O23  1  0.24204400  0.17990500  0.09272100  1
