# generated using pymatgen
data_Li3CrFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11229007
_cell_length_b   7.74352556
_cell_length_c   7.76678894
_cell_angle_alpha   81.34653979
_cell_angle_beta   70.49354643
_cell_angle_gamma   83.71888732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CrFe3O8
_chemical_formula_sum   'Li6 Cr2 Fe6 O16'
_cell_volume   285.94046954
_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  -0.00000000  0.00000000  -0.00000000  1
  Li  Li1  1  0.00225858  0.61752586  0.12182611  1
  Li  Li2  1  -0.00419168  0.12129042  0.62706006  1
  Li  Li3  1  -0.00000000  0.50000000  0.50000000  1
  Li  Li4  1  0.00419168  0.87870958  0.37293994  1
  Li  Li5  1  -0.00225858  0.38247414  0.87817389  1
  Cr  Cr6  1  0.49242521  0.68813446  0.43814627  1
  Cr  Cr7  1  0.50757479  0.31186554  0.56185373  1
  Fe  Fe8  1  0.49694447  0.43399186  0.18897407  1
  Fe  Fe9  1  0.52509761  0.81121118  0.05508143  1
  Fe  Fe10  1  0.50127592  0.06386994  0.30770158  1
  Fe  Fe11  1  0.49872408  0.93613006  0.69229842  1
  Fe  Fe12  1  0.47490239  0.18878882  0.94491857  1
  Fe  Fe13  1  0.50305553  0.56600814  0.81102593  1
  O  O14  1  0.27355181  0.02084795  0.15374212  1
  O  O15  1  0.27098274  0.41593334  0.01982327  1
  O  O16  1  0.27445186  0.65399459  0.28532942  1
  O  O17  1  0.28901487  0.28119968  0.41227062  1
  O  O18  1  0.28556078  0.90425206  0.51415595  1
  O  O19  1  0.26389015  0.15949407  0.77494992  1
  O  O20  1  0.28521744  0.51856743  0.64342701  1
  O  O21  1  0.71533817  0.21565118  0.09692552  1
  O  O22  1  0.28466183  0.78434882  0.90307448  1
  O  O23  1  0.71478256  0.48143257  0.35657299  1
  O  O24  1  0.73610985  0.84050593  0.22505008  1
  O  O25  1  0.71443922  0.09574794  0.48584405  1
  O  O26  1  0.71098513  0.71880032  0.58772938  1
  O  O27  1  0.72554814  0.34600541  0.71467058  1
  O  O28  1  0.72901726  0.58406666  0.98017673  1
  O  O29  1  0.72644819  0.97915205  0.84625788  1
