data_Hf2CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.02
_cell_angle_alpha   117.48
_cell_angle_beta   117.48
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSi
_chemical_formula_sum   'Hf2 Cd1 Si1'
_cell_volume   81.25
_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  Hf1  1  0.67  0.0  0.9  1.0
  Hf  Hf2  1  0.85  0.0  0.47  1.0
  Cd  Cd0  1  0.76  0.0  0.18  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Hf2CdSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.02
_cell_length_c   5.33
_cell_angle_alpha   117.48
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSi
_chemical_formula_sum   'Hf2 Cd1 Si1'
_cell_volume   81.25
_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  0.47  0.85  1.0
  Hf  Hf1  1  0.0  0.9  0.67  1.0
  Cd  Cd2  1  0.0  0.18  0.76  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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