data_LiCrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.43
_cell_length_b   3.76
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrFe2
_chemical_formula_sum   'Li1 Cr1 Fe2'
_cell_volume   42.68
_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  Li3  1  0.0  0.0  0.29  1.0
  Cr  Cr0  1  0.21  0.88  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.68  1.0
  Fe  Fe2  1  0.21  0.88  0.21  1.0

data_LiCrFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   3.76
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrFe2
_chemical_formula_sum   'Li1 Cr1 Fe2'
_cell_volume   42.68
_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  0.0  0.0  0.29  1.0
  Cr  Cr1  1  0.21  0.88  0.52  1.0
  Fe  Fe2  1  0.0  0.0  0.68  1.0
  Fe  Fe3  1  0.21  0.88  0.21  1.0

Li Cr Fe Fe
Li Cr Fe Fe 0 3 o - o 1 2 o + o 