# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64665438
_cell_length_b   6.64665438
_cell_length_c   5.13403848
_cell_angle_alpha   82.72843745
_cell_angle_beta   82.72843745
_cell_angle_gamma   83.95551426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li6 Cr3 Fe3 O12'
_cell_volume   222.25741476
_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  0.83517300  0.66569700  0.25033900  1
  Li  Li1  1  0.50022800  0.00047300  0.24481600  1
  Li  Li2  1  0.99952700  0.49977200  0.75518400  1
  Li  Li3  1  0.66435700  0.83220000  0.75035800  1
  Li  Li4  1  0.16780000  0.33564300  0.24964200  1
  Li  Li5  1  0.33430300  0.16482700  0.74966100  1
  Cr  Cr6  1  0.58051600  0.41948400  0.00000000  1
  Cr  Cr7  1  0.41488100  0.58511900  0.50000000  1
  Cr  Cr8  1  0.08578400  0.91421600  0.50000000  1
  Fe  Fe9  1  0.25005900  0.74994100  0.00000000  1
  Fe  Fe10  1  0.91942800  0.08057200  0.00000000  1
  Fe  Fe11  1  0.75034400  0.24965600  0.50000000  1
  O  O12  1  0.97433300  0.80058300  0.87072000  1
  O  O13  1  0.52490900  0.69711300  0.12825900  1
  O  O14  1  0.63422200  0.13774300  0.87221200  1
  O  O15  1  0.30288700  0.47509100  0.87174100  1
  O  O16  1  0.86225700  0.36577800  0.12778800  1
  O  O17  1  0.80326500  0.96661900  0.37236500  1
  O  O18  1  0.13881600  0.63954300  0.36398900  1
  O  O19  1  0.19941700  0.02566700  0.12928000  1
  O  O20  1  0.69516800  0.53130800  0.63044400  1
  O  O21  1  0.46869200  0.30483200  0.36955600  1
  O  O22  1  0.36045700  0.86118400  0.63601100  1
  O  O23  1  0.03338100  0.19673500  0.62763500  1
