# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97431700
_cell_length_b   5.15402000
_cell_length_c   5.16732763
_cell_angle_alpha   70.48600646
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li2 Cr1 Fe1 O4'
_cell_volume   74.66349703
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr2  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.50000000  1
  O  O4  1  0.00000000  0.24109400  0.27359600  1
  O  O5  1  0.50000000  0.25597800  0.72772700  1
  O  O6  1  0.50000000  0.74402200  0.27227300  1
  O  O7  1  0.00000000  0.75890600  0.72640400  1
