data_SrSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.63
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiHg2
_chemical_formula_sum   'Sr1 Si1 Hg2'
_cell_volume   106.84
_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
  Sr  Sr3  1  0.34  0.0  0.98  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.58  0.32  0.61  1.0
  Hg  Hg1  1  0.1  0.32  0.35  1.0

data_SrSiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.63
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiHg2
_chemical_formula_sum   'Sr1 Si1 Hg2'
_cell_volume   106.84
_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
  Sr  Sr0  1  0.34  0.0  0.98  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.1  0.32  0.35  1.0
  Hg  Hg3  1  0.58  0.32  0.61  1.0

Sr Si Hg Hg
Sr Si Hg Hg 0 1 o o + 1 3 o o o 2 3 o o o 