data_SiHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.87
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Pt
_chemical_formula_sum   'Si1 Hg2 Pt1'
_cell_volume   76.0
_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  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.81  0.94  0.36  1.0
  Hg  Hg1  1  0.81  0.94  0.07  1.0
  Pt  Pt2  1  0.0  0.0  0.71  1.0

data_SiHg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.87
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Pt
_chemical_formula_sum   'Si1 Hg2 Pt1'
_cell_volume   76.0
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.81  0.94  0.07  1.0
  Hg  Hg2  1  0.81  0.94  0.36  1.0
  Pt  Pt3  1  0.0  0.0  0.71  1.0

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