# generated using pymatgen
data_Li2CrFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28043784
_cell_length_b   5.28043784
_cell_length_c   5.28043784
_cell_angle_alpha   134.54499387
_cell_angle_beta   134.54499387
_cell_angle_gamma   66.23800430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFeO4
_chemical_formula_sum   'Li2 Cr1 Fe1 O4'
_cell_volume   73.62635420
_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  0.25000000  0.75000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr2  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1
  O  O4  1  0.52126100  0.02126100  0.50000000  1
  O  O5  1  0.23070100  0.23070100  0.00000000  1
  O  O6  1  0.97873900  0.47873900  0.50000000  1
  O  O7  1  0.76929900  0.76929900  0.00000000  1
