data_AlZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.02
_cell_length_c   3.1
_cell_angle_alpha   82.73
_cell_angle_beta   72.34
_cell_angle_gamma   24.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnHg
_chemical_formula_sum   'Al1 Zn1 Hg1'
_cell_volume   59.3
_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  0.66  0.62  0.53  1.0
  Zn  Zn2  1  0.66  0.62  0.63  1.0
  Hg  Hg1  1  0.66  0.62  0.11  1.0

data_AlZnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.32
_cell_length_b   13.63
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   122.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlZnHg
_chemical_formula_sum   'Al2 Zn2 Hg2'
_cell_volume   118.59
_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  0.16  0.5  0.18  1.0
  Zn  Zn1  2  0.16  0.5  0.29  1.0
  Hg  Hg2  2  0.16  0.5  0.77  1.0

Al Zn Hg
Al Zn Hg 0 1 o o o 0 2 o o o 1 2 o o + 1 2 o o o 