data_HfTi2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   29.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Cd
_chemical_formula_sum   'Hf1 Ti2 Cd1'
_cell_volume   77.51
_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  0.31  0.0  0.3  1.0
  Ti  Ti2  1  0.0  0.0  0.32  1.0
  Ti  Ti3  1  0.31  0.0  0.48  1.0
  Cd  Cd0  1  0.0  0.0  0.28  1.0

data_HfTi2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.63
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Cd
_chemical_formula_sum   'Hf1 Ti2 Cd1'
_cell_volume   77.51
_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  0.7  0.31  0.7  1.0
  Ti  Ti1  1  0.52  0.31  0.52  1.0
  Ti  Ti2  1  0.68  0.0  0.68  1.0
  Cd  Cd3  1  0.72  0.0  0.72  1.0

Hf Ti Ti Cd
Hf Ti Ti Cd 0 2 o o o 1 3 o o o 