data_Si2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   3.74
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   109.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2HgPt
_chemical_formula_sum   'Si2 Hg1 Pt1'
_cell_volume   74.0
_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  0.13  0.87  0.61  1.0
  Si  Si3  1  0.64  0.0  0.27  1.0
  Hg  Hg0  1  0.08  0.87  0.27  1.0
  Pt  Pt1  1  0.06  0.0  0.06  1.0

data_Si2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.05
_cell_length_c   5.17
_cell_angle_alpha   109.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2HgPt
_chemical_formula_sum   'Si2 Hg1 Pt1'
_cell_volume   74.0
_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  0.36  0.73  1.0
  Si  Si1  1  0.13  0.87  0.39  1.0
  Hg  Hg2  1  0.13  0.92  0.73  1.0
  Pt  Pt3  1  0.0  0.94  0.94  1.0

Si Si Hg Pt
Si Si Hg Pt 0 2 o o o 0 1 - + o 1 2 o - o 1 2 + - o 1 3 o o o 1 3 + o o 2 3 o + o 