data_SrSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   21.9
_cell_angle_beta   21.9
_cell_angle_gamma   21.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Hg
_chemical_formula_sum   'Sr1 Sn2 Hg1'
_cell_volume   124.54
_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  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.08  1.0
  Sn  Sn2  1  0.0  0.0  0.4  1.0
  Hg  Hg0  1  0.0  0.0  0.74  1.0

data_SrSn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   3.83
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   102.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSn2Hg
_chemical_formula_sum   'Sr2 Sn4 Hg2'
_cell_volume   249.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  -0.0  0.0  0.6  1.0
  Sn  Sn2  2  -0.0  0.0  0.92  1.0
  Hg  Hg3  2  -0.0  0.0  0.26  1.0

Sr Sn Sn Hg
Sr Sn Sn Hg 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 