data_HfCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   27.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Si
_chemical_formula_sum   'Hf1 Cd2 Si1'
_cell_volume   80.87
_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  Hf2  1  0.07  0.0  0.85  1.0
  Cd  Cd0  1  0.07  0.0  0.42  1.0
  Cd  Cd1  1  0.0  0.0  0.23  1.0
  Si  Si3  1  0.0  0.0  0.41  1.0

data_HfCd2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.14
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Si
_chemical_formula_sum   'Hf1 Cd2 Si1'
_cell_volume   80.87
_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  0.15  0.07  0.15  1.0
  Cd  Cd1  1  0.58  0.07  0.58  1.0
  Cd  Cd2  1  0.77  0.0  0.77  1.0
  Si  Si3  1  0.59  0.0  0.59  1.0

Hf Cd Cd Si
Hf Cd Cd Si 0 3 o o o 0 2 o o + 0 0 o + - 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 