data_AlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.44
_cell_length_c   3.31
_cell_angle_alpha   83.35
_cell_angle_beta   71.66
_cell_angle_gamma   24.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2
_chemical_formula_sum   'Al1 Hg2'
_cell_volume   69.71
_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  0.69  0.85  0.93  1.0
  Hg  Hg2  1  0.69  0.85  0.56  1.0

data_AlHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.44
_cell_angle_alpha   96.65
_cell_angle_beta   96.65
_cell_angle_gamma   118.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2
_chemical_formula_sum   'Al1 Hg2'
_cell_volume   69.71
_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  0.85  0.1  0.54  1.0
  Hg  Hg2  1  0.85  0.46  0.54  1.0

Al Hg Hg