data_Hf2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.41
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdAu
_chemical_formula_sum   'Hf2 Cd1 Au1'
_cell_volume   83.63
_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  0.67  0.2  0.69  1.0
  Hf  Hf3  1  0.85  0.0  0.65  1.0
  Cd  Cd1  1  0.29  0.0  0.45  1.0
  Au  Au0  1  0.24  0.2  0.73  1.0

data_Hf2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.41
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdAu
_chemical_formula_sum   'Hf2 Cd1 Au1'
_cell_volume   83.63
_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  0.67  0.2  0.69  1.0
  Hf  Hf1  1  0.85  0.0  0.65  1.0
  Cd  Cd2  1  0.29  0.0  0.45  1.0
  Au  Au3  1  0.24  0.2  0.73  1.0

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