data_Al2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   18.96
_cell_angle_beta   18.96
_cell_angle_gamma   18.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgOs
_chemical_formula_sum   'Al2 Hg1 Os1'
_cell_volume   67.93
_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  0.44  1.0
  Al  Al1  1  0.0  0.0  0.82  1.0
  Hg  Hg2  1  0.0  0.0  0.34  1.0
  Os  Os3  1  0.0  0.0  0.87  1.0

data_Al2HgOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   2.97
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2HgOs
_chemical_formula_sum   'Al4 Hg2 Os2'
_cell_volume   135.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.18  1.0
  Al  Al1  2  0.0  0.0  0.56  1.0
  Hg  Hg2  2  0.0  0.0  0.66  1.0
  Os  Os3  2  0.0  0.0  0.13  1.0

Al Al Hg Os
Al Al Hg Os 0 2 o o o 1 3 o o o 