data_AlHgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgCl
_chemical_formula_sum   'Al1 Hg1 Cl1'
_cell_volume   77.61
_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  0.03  1.0
  Hg  Hg2  1  0.27  0.31  0.16  1.0
  Cl  Cl1  1  0.0  0.62  0.15  1.0

data_AlHgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgCl
_chemical_formula_sum   'Al1 Hg1 Cl1'
_cell_volume   77.61
_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  0.03  0.0  0.0  1.0
  Hg  Hg1  1  0.16  0.27  0.31  1.0
  Cl  Cl2  1  0.15  -0.0  0.62  1.0

Al Hg Cl