data_AlHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.61
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Sb
_chemical_formula_sum   'Al1 Hg2 Sb1'
_cell_volume   101.29
_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  0.98  0.0  0.64  1.0
  Hg  Hg1  1  0.99  0.81  0.64  1.0
  Hg  Hg2  1  0.61  0.0  0.81  1.0
  Sb  Sb3  1  0.14  0.81  0.52  1.0

data_AlHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.61
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Sb
_chemical_formula_sum   'Al1 Hg2 Sb1'
_cell_volume   101.29
_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  0.98  0.0  0.64  1.0
  Hg  Hg1  1  0.61  0.0  0.81  1.0
  Hg  Hg2  1  0.99  0.81  0.64  1.0
  Sb  Sb3  1  0.14  0.81  0.52  1.0

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