data_AlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   104.5
_cell_angle_beta   104.5
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2
_chemical_formula_sum   'Al2 Hg4'
_cell_volume   137.78
_cell_formula_units_Z   2
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  0.27  1.0
  Al  Al1  1  0.0  0.0  0.42  1.0
  Hg  Hg2  1  0.11  0.37  0.0  1.0
  Hg  Hg3  1  0.37  0.11  0.84  1.0
  Hg  Hg4  1  0.59  0.11  0.0  1.0
  Hg  Hg5  1  0.89  0.37  0.84  1.0

data_AlHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   104.5
_cell_angle_beta   104.5
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2
_chemical_formula_sum   'Al2 Hg4'
_cell_volume   137.78
_cell_formula_units_Z   2
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  0.27  0.27  0.27  1.0
  Al  Al1  1  0.42  0.42  0.42  1.0
  Hg  Hg2  1  0.41  0.89  -0.0  1.0
  Hg  Hg3  1  0.47  0.74  0.84  1.0
  Hg  Hg4  1  0.89  0.63  -0.0  1.0
  Hg  Hg5  1  0.95  0.47  0.84  1.0

Al Al Hg Hg Hg Hg
Al Al Hg Hg Hg Hg 0 1 o o o 2 5 - o - 3 4 o o + 