data_HfCdSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.37
_cell_angle_alpha   109.55
_cell_angle_beta   109.55
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdSn2
_chemical_formula_sum   'Hf1 Cd1 Sn2'
_cell_volume   93.21
_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  0.26  0.0  0.86  1.0
  Cd  Cd0  1  0.5  0.0  0.84  1.0
  Sn  Sn2  1  0.96  0.0  0.46  1.0
  Sn  Sn3  1  0.52  0.0  0.4  1.0

data_HfCdSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.37
_cell_length_c   5.91
_cell_angle_alpha   109.55
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdSn2
_chemical_formula_sum   'Hf1 Cd1 Sn2'
_cell_volume   93.21
_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  0.86  0.26  1.0
  Cd  Cd1  1  0.0  0.84  0.5  1.0
  Sn  Sn2  1  0.0  0.4  0.52  1.0
  Sn  Sn3  1  0.0  0.46  0.96  1.0

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