data_Hf3Cd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   3.13
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   91.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd5
_chemical_formula_sum   'Hf3 Cd5'
_cell_volume   173.69
_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  Hf5  1  0.36  0.57  0.76  1.0
  Hf  Hf6  1  0.3  0.57  0.38  1.0
  Hf  Hf7  1  0.86  0.0  0.32  1.0
  Cd  Cd0  1  0.88  0.0  0.68  1.0
  Cd  Cd1  1  0.52  0.0  0.86  1.0
  Cd  Cd2  1  0.7  0.57  0.83  1.0
  Cd  Cd3  1  0.72  0.57  0.23  1.0
  Cd  Cd4  1  0.47  0.0  0.4  1.0

data_Hf3Cd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   7.1
_cell_length_c   7.81
_cell_angle_alpha   91.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd5
_chemical_formula_sum   'Hf3 Cd5'
_cell_volume   173.69
_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  0.14  0.68  1.0
  Hf  Hf1  1  0.43  0.64  0.24  1.0
  Hf  Hf2  1  0.43  0.7  0.62  1.0
  Cd  Cd3  1  0.0  0.12  0.32  1.0
  Cd  Cd4  1  0.0  0.48  0.14  1.0
  Cd  Cd5  1  0.0  0.53  0.6  1.0
  Cd  Cd6  1  0.43  0.28  0.77  1.0
  Cd  Cd7  1  0.43  0.3  0.17  1.0

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