data_Hf2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdNi
_chemical_formula_sum   'Hf2 Cd1 Ni1'
_cell_volume   74.18
_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  0.16  0.0  0.98  1.0
  Hf  Hf2  1  0.0  0.16  0.98  1.0
  Cd  Cd0  1  0.16  0.16  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Hf2CdNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CdNi
_chemical_formula_sum   'Hf4 Cd2 Ni2'
_cell_volume   148.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.08  0.08  0.98  1.0
  Cd  Cd1  2  0.16  0.0  -0.0  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Hf Hf Cd Ni
Hf Hf Cd Ni 0 3 o o + 0 2 o o + 1 3 o o + 1 2 o o + 