data_Al2CdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   131.12
_cell_angle_beta   131.12
_cell_angle_gamma   71.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdHg
_chemical_formula_sum   'Al2 Cd1 Hg1'
_cell_volume   81.3
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.18  0.0  0.14  1.0
  Cd  Cd2  1  0.0  0.0  0.27  1.0
  Hg  Hg3  1  0.0  0.18  0.14  1.0

data_Al2CdHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.27
_cell_angle_alpha   114.44
_cell_angle_beta   114.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdHg
_chemical_formula_sum   'Al2 Cd1 Hg1'
_cell_volume   81.3
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.14  0.96  0.96  1.0
  Cd  Cd2  1  0.27  0.27  0.27  1.0
  Hg  Hg3  1  0.96  0.14  0.96  1.0

Al Al Cd Hg