data_HfCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   143.32
_cell_angle_beta   139.36
_cell_angle_gamma   55.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ge
_chemical_formula_sum   'Hf1 Cd2 Ge1'
_cell_volume   82.03
_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  Hf3  1  0.0  0.0  0.27  1.0
  Cd  Cd0  1  0.88  0.0  0.52  1.0
  Cd  Cd1  1  0.0  0.07  0.75  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_HfCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.14
_cell_length_c   5.97
_cell_angle_alpha   110.32
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ge
_chemical_formula_sum   'Hf1 Cd2 Ge1'
_cell_volume   82.03
_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  0.73  0.73  0.73  1.0
  Cd  Cd1  1  0.25  0.32  0.32  1.0
  Cd  Cd2  1  0.36  0.48  0.36  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Hf Cd Cd Ge
Hf Cd Cd Ge 0 3 o o o 1 2 + o o 2 3 o o + 