data_LaCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.06
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cd
_chemical_formula_sum   'La1 Cr2 Cd1'
_cell_volume   86.52
_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  La3  1  0.0  0.0  0.28  1.0
  Cr  Cr1  1  0.62  0.03  0.94  1.0
  Cr  Cr2  1  0.62  0.03  0.62  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_LaCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.06
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cd
_chemical_formula_sum   'La1 Cr2 Cd1'
_cell_volume   86.52
_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  0.0  0.0  0.28  1.0
  Cr  Cr1  1  0.62  0.03  0.62  1.0
  Cr  Cr2  1  0.62  0.03  0.94  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

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