data_HfCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ge
_chemical_formula_sum   'Hf1 Cd2 Ge1'
_cell_volume   84.02
_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  0.82  0.0  0.0  1.0
  Cd  Cd0  1  0.41  0.61  0.56  1.0
  Cd  Cd1  1  0.41  0.39  0.56  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   3.12
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   118.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ge
_chemical_formula_sum   'Hf1 Cd2 Ge1'
_cell_volume   84.02
_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  0.82  0.0  1.0
  Cd  Cd1  1  0.56  0.41  0.61  1.0
  Cd  Cd2  1  0.56  0.41  0.39  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 1 2 o o o 