data_Hf2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.49
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2HgPd
_chemical_formula_sum   'Hf2 Hg1 Pd1'
_cell_volume   80.53
_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  0.63  0.24  0.1  1.0
  Hf  Hf1  1  0.89  0.0  0.61  1.0
  Hg  Hg2  1  0.27  0.24  0.56  1.0
  Pd  Pd3  1  0.23  0.0  0.34  1.0

data_Hf2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.49
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2HgPd
_chemical_formula_sum   'Hf2 Hg1 Pd1'
_cell_volume   80.53
_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  0.63  0.24  0.1  1.0
  Hf  Hf1  1  0.89  0.0  0.61  1.0
  Hg  Hg2  1  0.27  0.24  0.56  1.0
  Pd  Pd3  1  0.23  0.0  0.34  1.0

Hf Hf Hg Pd