data_Al2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.11
_cell_angle_alpha   103.03
_cell_angle_beta   103.03
_cell_angle_gamma   112.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgPd
_chemical_formula_sum   'Al2 Hg1 Pd1'
_cell_volume   70.64
_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
  Al  Al0  1  0.8  0.17  0.42  1.0
  Al  Al1  1  0.8  0.83  0.42  1.0
  Hg  Hg2  1  0.87  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Al2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   112.93
_cell_angle_beta   103.03
_cell_angle_gamma   103.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgPd
_chemical_formula_sum   'Al2 Hg1 Pd1'
_cell_volume   70.64
_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
  Al  Al0  1  0.42  0.8  0.83  1.0
  Al  Al1  1  0.42  0.8  0.17  1.0
  Hg  Hg2  1  0.0  0.87  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Al Al Hg Pd