data_HfCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   151.11
_cell_angle_beta   151.11
_cell_angle_gamma   41.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd3
_chemical_formula_sum   'Hf2 Cd6'
_cell_volume   169.71
_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  0.0  0.0  0.33  1.0
  Hf  Hf7  1  0.0  0.0  0.51  1.0
  Cd  Cd0  1  0.0  0.24  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.19  1.0
  Cd  Cd2  1  0.0  0.0  0.65  1.0
  Cd  Cd3  1  0.0  0.24  0.21  1.0
  Cd  Cd4  1  0.24  0.0  0.21  1.0
  Cd  Cd5  1  0.24  0.0  0.0  1.0

data_HfCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCd3
_chemical_formula_sum   'Hf4 Cd12'
_cell_volume   339.41
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.01  0.5  0.51  1.0
  Hf  Hf1  2  0.33  0.0  0.33  1.0
  Cd  Cd2  4  0.09  0.12  0.97  1.0
  Cd  Cd3  4  0.38  0.62  0.76  1.0
  Cd  Cd4  2  0.15  0.5  0.65  1.0
  Cd  Cd5  2  0.19  0.0  0.19  1.0

Hf Hf Cd Cd Cd Cd Cd Cd