data_Li2CrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   147.8
_cell_angle_beta   137.4
_cell_angle_gamma   54.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFe
_chemical_formula_sum   'Li2 Cr1 Fe1'
_cell_volume   47.27
_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  Li2  1  0.0  0.85  0.2  1.0
  Li  Li3  1  0.41  0.0  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.53  1.0

data_Li2CrFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.7
_cell_length_c   5.09
_cell_angle_alpha   111.3
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrFe
_chemical_formula_sum   'Li2 Cr1 Fe1'
_cell_volume   47.27
_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  0.09  0.68  0.09  1.0
  Li  Li1  1  0.8  0.64  0.64  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.47  0.47  0.47  1.0

Li Li Cr Fe