data_HfScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCd
_chemical_formula_sum   'Hf1 Sc1 Cd1'
_cell_volume   68.25
_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  0.6  0.92  0.61  1.0
  Sc  Sc2  1  0.0  0.0  0.09  1.0
  Cd  Cd0  1  1.0  0.85  0.0  1.0

data_HfScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCd
_chemical_formula_sum   'Hf1 Sc1 Cd1'
_cell_volume   68.25
_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  0.6  0.92  0.61  1.0
  Sc  Sc1  1  0.0  0.0  0.09  1.0
  Cd  Cd2  1  1.0  0.85  0.0  1.0

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