data_HfCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2
_chemical_formula_sum   'Hf1 Cd2'
_cell_volume   63.65
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.81  0.49  1.0
  Cd  Cd1  1  0.43  0.4  0.62  1.0

data_HfCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2
_chemical_formula_sum   'Hf1 Cd2'
_cell_volume   63.65
_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
  Cd  Cd1  1  0.49  -0.0  0.81  1.0
  Cd  Cd2  1  0.62  0.43  0.4  1.0

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