data_HgOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   154.2
_cell_angle_beta   135.79
_cell_angle_gamma   51.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOsCl2
_chemical_formula_sum   'Hg1 Os1 Cl2'
_cell_volume   92.97
_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
  Hg  Hg2  1  0.0  0.0  0.07  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.54  0.18  1.0
  Cl  Cl1  1  0.51  0.0  0.89  1.0

data_HgOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.08
_cell_length_c   6.75
_cell_angle_alpha   112.11
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOsCl2
_chemical_formula_sum   'Hg1 Os1 Cl2'
_cell_volume   92.97
_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
  Hg  Hg0  1  0.0  0.07  0.07  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.89  0.38  1.0
  Cl  Cl3  1  0.46  0.64  0.64  1.0

Hg Os Cl Cl