data_HfSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   146.94
_cell_angle_beta   131.59
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Cd
_chemical_formula_sum   'Hf1 Sc2 Cd1'
_cell_volume   90.97
_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  0.0  0.49  0.45  1.0
  Sc  Sc2  1  0.0  0.0  0.5  1.0
  Sc  Sc3  1  0.73  0.0  0.86  1.0
  Cd  Cd0  1  0.0  0.0  0.27  1.0

data_HfSc2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.99
_cell_length_c   6.08
_cell_angle_alpha   114.21
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Cd
_chemical_formula_sum   'Hf1 Sc2 Cd1'
_cell_volume   90.97
_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  0.55  0.04  0.04  1.0
  Sc  Sc1  1  0.5  0.5  0.5  1.0
  Sc  Sc2  1  0.87  0.14  0.87  1.0
  Cd  Cd3  1  0.73  0.73  0.73  1.0

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