data_YHfCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.92
_cell_angle_alpha   100.13
_cell_angle_beta   100.13
_cell_angle_gamma   36.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfCd2
_chemical_formula_sum   'Y1 Hf1 Cd2'
_cell_volume   99.49
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.55  0.0  0.91  1.0
  Cd  Cd0  1  0.7  0.0  0.23  1.0
  Cd  Cd1  1  0.41  0.0  0.58  1.0

data_YHfCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.37
_cell_length_c   5.92
_cell_angle_alpha   100.13
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfCd2
_chemical_formula_sum   'Y1 Hf1 Cd2'
_cell_volume   99.49
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.45  0.09  1.0
  Cd  Cd2  1  0.0  0.3  0.77  1.0
  Cd  Cd3  1  0.0  0.59  0.42  1.0

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