data_Hf2CdSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.13
_cell_angle_alpha   113.7
_cell_angle_beta   113.7
_cell_angle_gamma   32.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSn
_chemical_formula_sum   'Hf2 Cd1 Sn1'
_cell_volume   88.1
_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  0.0  0.0  1.0
  Hf  Hf2  1  0.01  0.0  0.14  1.0
  Cd  Cd0  1  0.25  0.0  0.49  1.0
  Sn  Sn3  1  0.68  0.0  0.35  1.0

data_Hf2CdSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.13
_cell_length_c   5.95
_cell_angle_alpha   113.7
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSn
_chemical_formula_sum   'Hf2 Cd1 Sn1'
_cell_volume   88.1
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.14  0.01  1.0
  Cd  Cd2  1  0.0  0.49  0.25  1.0
  Sn  Sn3  1  0.0  0.35  0.68  1.0

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