data_HfCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.33
_cell_angle_alpha   109.61
_cell_angle_beta   109.61
_cell_angle_gamma   51.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd3
_chemical_formula_sum   'Hf2 Cd6'
_cell_volume   174.37
_cell_formula_units_Z   2
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  Hf6  1  0.87  0.07  0.34  1.0
  Hf  Hf7  1  0.85  0.07  0.53  1.0
  Cd  Cd0  1  0.54  0.33  0.0  1.0
  Cd  Cd1  1  0.89  0.07  0.47  1.0
  Cd  Cd2  1  0.36  0.34  0.94  1.0
  Cd  Cd3  1  0.83  0.07  0.4  1.0
  Cd  Cd4  1  0.76  0.06  0.18  1.0
  Cd  Cd5  1  0.96  0.06  0.7  1.0

data_HfCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   6.15
_cell_length_c   6.33
_cell_angle_alpha   109.61
_cell_angle_beta   90.0
_cell_angle_gamma   115.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd3
_chemical_formula_sum   'Hf2 Cd6'
_cell_volume   174.37
_cell_formula_units_Z   2
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  0.93  0.06  0.66  1.0
  Hf  Hf1  1  0.93  0.09  0.47  1.0
  Cd  Cd2  1  0.66  0.3  0.06  1.0
  Cd  Cd3  1  0.67  0.14  -0.0  1.0
  Cd  Cd4  1  0.93  0.04  0.53  1.0
  Cd  Cd5  1  0.93  0.1  0.6  1.0
  Cd  Cd6  1  0.94  0.18  0.82  1.0
  Cd  Cd7  1  0.94  0.98  0.3  1.0

Hf Hf Cd Cd Cd Cd Cd Cd
Hf Hf Cd Cd Cd Cd Cd Cd 0 5 o o o 0 6 o o o 1 3 o o o 1 7 o o o 2 4 o o - 3 5 o o o 