data_La2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.81
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdFe
_chemical_formula_sum   'La2 Cd1 Fe1'
_cell_volume   101.93
_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
  La  La2  1  0.8  0.9  0.58  1.0
  La  La3  1  0.8  0.9  0.85  1.0
  Cd  Cd0  1  0.0  0.0  0.71  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_La2CdFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.81
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdFe
_chemical_formula_sum   'La2 Cd1 Fe1'
_cell_volume   101.93
_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
  La  La0  1  0.8  0.9  0.58  1.0
  La  La1  1  0.8  0.9  0.85  1.0
  Cd  Cd2  1  0.0  0.0  0.71  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

La La Cd Fe
La La Cd Fe 0 2 + + o 1 2 + + o 1 3 + + + 