# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15322700
_cell_length_b   5.17358829
_cell_length_c   5.95031247
_cell_angle_alpha   106.75159283
_cell_angle_beta   89.97635108
_cell_angle_gamma   99.57876288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li4 Cr2 Fe2 O8'
_cell_volume   149.59925355
_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  0.49915200  0.00117500  0.75125500  1
  Li  Li2  1  0.00000000  0.00000000  0.50000000  1
  Li  Li3  1  0.50084800  0.99882500  0.24874500  1
  Cr  Cr4  1  0.24987500  0.49879000  0.87505500  1
  Cr  Cr5  1  0.75012500  0.50121000  0.12494500  1
  Fe  Fe6  1  0.75002100  0.49941300  0.62497800  1
  Fe  Fe7  1  0.24997900  0.50058700  0.37502200  1
  O  O8  1  0.88025000  0.27409800  0.81972200  1
  O  O9  1  0.61909400  0.72463200  0.93162500  1
  O  O10  1  0.37653500  0.27138300  0.56936900  1
  O  O11  1  0.12302300  0.72697300  0.68398600  1
  O  O12  1  0.87697700  0.27302700  0.31601400  1
  O  O13  1  0.62346500  0.72861700  0.43063100  1
  O  O14  1  0.38090600  0.27536800  0.06837500  1
  O  O15  1  0.11975000  0.72590200  0.18027800  1
