data_HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs
_chemical_formula_sum   'Hg2 Os2'
_cell_volume   71.23
_cell_formula_units_Z   2
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  0.44  0.83  0.49  1.0
  Hg  Hg1  1  0.0  0.66  0.45  1.0
  Os  Os2  1  0.44  0.83  0.98  1.0
  Os  Os3  1  0.0  0.66  0.97  1.0

data_HgOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgOs
_chemical_formula_sum   'Hg2 Os2'
_cell_volume   71.23
_cell_formula_units_Z   2
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  0.22  0.58  0.02  1.0
  Os  Os1  2  0.22  0.58  0.5  1.0

Hg Hg Os Os