data_Al2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   25.02
_cell_angle_beta   25.02
_cell_angle_gamma   25.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgBi
_chemical_formula_sum   'Al2 Hg1 Bi1'
_cell_volume   95.49
_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  0.25  1.0
  Al  Al1  1  0.0  0.0  0.35  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.3  1.0

data_Al2HgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   3.67
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   104.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2HgBi
_chemical_formula_sum   'Al4 Hg2 Bi2'
_cell_volume   190.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.65  1.0
  Al  Al1  2  0.0  0.0  0.75  1.0
  Hg  Hg2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.7  1.0

Al Al Hg Bi