data_Ba2HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.88
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfCd
_chemical_formula_sum   'Ba2 Hf1 Cd1'
_cell_volume   143.81
_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
  Ba  Ba0  1  0.87  0.44  0.77  1.0
  Ba  Ba1  1  0.88  0.44  0.95  1.0
  Hf  Hf3  1  0.96  0.0  0.86  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_Ba2HfCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.88
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfCd
_chemical_formula_sum   'Ba2 Hf1 Cd1'
_cell_volume   143.81
_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
  Ba  Ba0  1  0.87  0.44  0.77  1.0
  Ba  Ba1  1  0.88  0.44  0.95  1.0
  Hf  Hf2  1  0.96  0.0  0.86  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Ba Ba Hf Cd