data_AlHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   3.14
_cell_angle_alpha   105.01
_cell_angle_beta   105.01
_cell_angle_gamma   122.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Os
_chemical_formula_sum   'Al1 Hg2 Os1'
_cell_volume   73.99
_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  0.39  0.51  0.0  1.0
  Hg  Hg2  1  0.39  0.49  0.0  1.0
  Os  Os3  1  0.78  0.0  0.0  1.0

data_AlHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.69
_cell_length_c   5.74
_cell_angle_alpha   113.53
_cell_angle_beta   105.01
_cell_angle_gamma   92.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Os
_chemical_formula_sum   'Al1 Hg2 Os1'
_cell_volume   73.99
_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  0.49  0.49  0.88  1.0
  Hg  Hg2  1  0.51  0.51  0.9  1.0
  Os  Os3  1  0.0  0.0  0.78  1.0

Al Hg Hg Os