data_Hf2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.29
_cell_angle_alpha   101.19
_cell_angle_beta   101.19
_cell_angle_gamma   33.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbCd
_chemical_formula_sum   'Hf2 Nb1 Cd1'
_cell_volume   83.35
_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  0.27  0.0  0.1  1.0
  Hf  Hf2  1  0.57  0.0  0.38  1.0
  Nb  Nb3  1  0.72  0.0  0.56  1.0
  Cd  Cd0  1  0.74  0.0  0.91  1.0

data_Hf2NbCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.29
_cell_length_c   5.42
_cell_angle_alpha   101.19
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbCd
_chemical_formula_sum   'Hf2 Nb1 Cd1'
_cell_volume   83.35
_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  0.1  0.27  1.0
  Hf  Hf1  1  0.0  0.38  0.57  1.0
  Nb  Nb2  1  0.0  0.56  0.72  1.0
  Cd  Cd3  1  0.0  0.91  0.74  1.0

Hf Hf Nb Cd