data_HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   4.3
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs
_chemical_formula_sum   'Hg4 Os4'
_cell_volume   157.1
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.92  0.08  0.59  1.0
  Hg  Hg1  1  0.35  0.23  0.38  1.0
  Hg  Hg2  1  0.19  0.08  0.21  1.0
  Hg  Hg3  1  0.62  0.23  1.0  1.0
  Os  Os4  1  0.21  0.08  0.32  1.0
  Os  Os5  1  0.06  0.23  0.53  1.0
  Os  Os6  1  0.48  0.08  0.06  1.0
  Os  Os7  1  0.33  0.23  0.26  1.0

data_HgOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.3
_cell_length_b   5.59
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgOs
_chemical_formula_sum   'Hg4 Os4'
_cell_volume   157.1
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hg  Hg0  2  0.08  0.09  0.08  1.0
  Hg  Hg1  2  0.08  0.71  0.35  1.0
  Os  Os2  2  0.08  0.24  0.79  1.0
  Os  Os3  2  0.08  0.97  0.06  1.0

Hg Hg Hg Hg Os Os Os Os
Hg Hg Hg Hg Os Os Os Os 0 5 + o o 1 7 o o o 2 4 o o o 3 6 o o + 