data_SrSi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   143.11
_cell_angle_beta   130.4
_cell_angle_gamma   63.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2Hg
_chemical_formula_sum   'Sr1 Si2 Hg1'
_cell_volume   100.73
_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  0.0  0.0  0.54  1.0
  Si  Si1  1  0.0  0.0  0.62  1.0
  Si  Si2  1  0.0  0.54  0.05  1.0
  Hg  Hg0  1  0.92  0.0  0.43  1.0

data_SrSi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.09
_cell_length_c   6.06
_cell_angle_alpha   114.8
_cell_angle_beta   108.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2Hg
_chemical_formula_sum   'Sr1 Si2 Hg1'
_cell_volume   100.73
_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  0.46  0.46  0.46  1.0
  Si  Si1  1  0.38  0.38  0.38  1.0
  Si  Si2  1  0.95  0.49  0.49  1.0
  Hg  Hg3  1  0.49  0.57  0.49  1.0

Sr Si Si Hg