data_Hf2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.37
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScCd
_chemical_formula_sum   'Hf2 Sc1 Cd1'
_cell_volume   89.57
_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
  Hf  Hf1  1  0.2  0.0  0.11  1.0
  Hf  Hf2  1  0.58  0.18  0.51  1.0
  Sc  Sc3  1  0.95  0.0  0.16  1.0
  Cd  Cd0  1  0.52  0.18  0.75  1.0

data_Hf2ScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.37
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScCd
_chemical_formula_sum   'Hf2 Sc1 Cd1'
_cell_volume   89.57
_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
  Hf  Hf0  1  0.2  0.0  0.11  1.0
  Hf  Hf1  1  0.58  0.18  0.51  1.0
  Sc  Sc2  1  0.95  0.0  0.16  1.0
  Cd  Cd3  1  0.52  0.18  0.75  1.0

Hf Hf Sc Cd
Hf Hf Sc Cd 0 2 - o o 1 3 o o o 