# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91031277
_cell_length_b   9.91031277
_cell_length_c   5.15944679
_cell_angle_alpha   84.62453424
_cell_angle_beta   84.62453424
_cell_angle_gamma   17.25311732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li4 Cr2 Fe2 O8'
_cell_volume   149.61706067
_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  0.25112000  0.25112000  0.24438500  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.74888000  0.74888000  0.75561500  1
  Cr  Cr4  1  0.12582800  0.12582800  0.62595300  1
  Cr  Cr5  1  0.87417200  0.87417200  0.37404700  1
  Fe  Fe6  1  0.62570700  0.62570700  0.12614400  1
  Fe  Fe7  1  0.37429300  0.37429300  0.87385600  1
  O  O8  1  0.06849000  0.06849000  0.31524600  1
  O  O9  1  0.81862500  0.81862500  0.06203400  1
  O  O10  1  0.43212700  0.43212700  0.18736100  1
  O  O11  1  0.31983500  0.31983500  0.55831900  1
  O  O12  1  0.68016500  0.68016500  0.44168100  1
  O  O13  1  0.18137500  0.18137500  0.93796600  1
  O  O14  1  0.93151000  0.93151000  0.68475400  1
  O  O15  1  0.56787300  0.56787300  0.81263900  1
