data_SiHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgSb
_chemical_formula_sum   'Si1 Hg1 Sb1'
_cell_volume   69.71
_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  Si2  1  0.0  0.0  0.63  1.0
  Hg  Hg0  1  0.55  0.47  0.98  1.0
  Sb  Sb1  1  0.0  0.95  0.56  1.0

data_SiHgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgSb
_chemical_formula_sum   'Si1 Hg1 Sb1'
_cell_volume   69.71
_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  0.63  0.0  0.0  1.0
  Hg  Hg1  1  0.98  0.55  0.47  1.0
  Sb  Sb2  1  0.56  0.0  0.95  1.0

Si Hg Sb
Si Hg Sb 0 2 o - o 0 1 o o o 0 1 o o - 0 1 - - o 0 1 - - - 1 2 o - o 1 2 o - + 1 2 + o o 1 2 + o + 1 1 o o + 