data_SiHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   158.68
_cell_angle_beta   149.72
_cell_angle_gamma   37.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Os
_chemical_formula_sum   'Si1 Hg2 Os1'
_cell_volume   80.21
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.41  0.0  0.59  1.0
  Hg  Hg1  1  0.0  0.98  0.61  1.0
  Os  Os2  1  0.0  0.0  0.2  1.0

data_SiHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.97
_cell_length_c   7.59
_cell_angle_alpha   105.14
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Os
_chemical_formula_sum   'Si1 Hg2 Os1'
_cell_volume   80.21
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.39  0.37  0.37  1.0
  Hg  Hg2  1  0.82  0.41  0.82  1.0
  Os  Os3  1  0.8  0.8  0.8  1.0

Si Hg Hg Os