data_HfScCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCd2
_chemical_formula_sum   'Hf1 Sc1 Cd2'
_cell_volume   86.08
_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  Hf2  1  0.21  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.6  0.16  0.55  1.0
  Cd  Cd1  1  0.6  0.84  0.55  1.0

data_HfScCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   106.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCd2
_chemical_formula_sum   'Hf1 Sc1 Cd2'
_cell_volume   86.08
_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  0.0  0.21  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.55  0.6  0.16  1.0
  Cd  Cd3  1  0.55  0.6  0.84  1.0

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