data_AlHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   5.36
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Sb
_chemical_formula_sum   'Al1 Hg2 Sb1'
_cell_volume   98.15
_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
  Hg  Hg1  1  0.0  0.68  0.72  1.0
  Hg  Hg2  1  0.68  0.68  0.0  1.0
  Sb  Sb3  1  0.68  0.0  0.72  1.0

data_AlHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.36
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Sb
_chemical_formula_sum   'Al1 Hg2 Sb1'
_cell_volume   98.15
_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
  Hg  Hg1  1  0.0  0.68  0.72  1.0
  Hg  Hg2  1  0.68  0.68  0.0  1.0
  Sb  Sb3  1  0.68  0.0  0.72  1.0

Al Hg Hg Sb
Al Hg Hg Sb 0 2 - - o 0 3 - o - 1 3 - + o 1 2 - o + 