data_Sr3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Hg2
_chemical_formula_sum   'Sr6 Hg4'
_cell_volume   375.17
_cell_formula_units_Z   2
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  0.54  0.54  0.0  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.14  0.67  0.28  1.0
  Sr  Sr3  1  0.67  0.94  0.28  1.0
  Sr  Sr4  1  0.94  0.4  0.28  1.0
  Sr  Sr5  1  0.4  0.14  0.28  1.0
  Hg  Hg6  1  0.3  0.83  0.0  1.0
  Hg  Hg7  1  0.83  0.78  0.0  1.0
  Hg  Hg8  1  0.24  0.3  0.0  1.0
  Hg  Hg9  1  0.78  0.24  0.0  1.0

data_Sr3Hg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Hg2
_chemical_formula_sum   'Sr6 Hg4'
_cell_volume   375.17
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.54  0.54  1.0
  Sr  Sr2  1  0.28  0.14  0.67  1.0
  Sr  Sr3  1  0.28  0.4  0.14  1.0
  Sr  Sr4  1  0.28  0.67  0.94  1.0
  Sr  Sr5  1  0.28  0.94  0.4  1.0
  Hg  Hg6  1  0.0  0.24  0.3  1.0
  Hg  Hg7  1  0.0  0.3  0.83  1.0
  Hg  Hg8  1  0.0  0.78  0.24  1.0
  Hg  Hg9  1  0.0  0.83  0.78  1.0

Sr Sr Sr Sr Sr Sr Hg Hg Hg Hg
Sr3Hg2 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a square co-planar geometry to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom. The Sr(1)-Hg(1) bond length is 3.46 Å. The Sr(1)-Hg(2) bond length is 3.46 Å. The Sr(1)-Hg(3) bond length is 3.46 Å. The Sr(1)-Hg(4) bond length is 3.46 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom. The Sr(2)-Hg(1) bond length is 3.08 Å. The Sr(2)-Hg(2) bond length is 2.54 Å. The Sr(2)-Hg(3) bond length is 3.46 Å. The Sr(2)-Hg(4) bond length is 2.98 Å. In the third Sr site, Sr(3) is bonded in a 1-coordinate geometry to one Hg(2), one Hg(3), and two equivalent Hg(1) atoms. The Sr(3)-Hg(2) bond length is 3.19 Å. The Sr(3)-Hg(3) bond length is 3.77 Å. There is one shorter (2.41 Å) and one longer (3.87 Å) Sr(3)-Hg(1) bond length. In the fourth Sr site, Sr(4) is bonded in a 1-coordinate geometry to one Hg(1), one Hg(4), and two equivalent Hg(2) atoms. The Sr(4)-Hg(1) bond length is 3.77 Å. The Sr(4)-Hg(4) bond length is 3.19 Å. There is one shorter (2.41 Å) and one longer (3.87 Å) Sr(4)-Hg(2) bond length. In the fifth Sr site, Sr(5) is bonded in a 1-coordinate geometry to one Hg(2), one Hg(3), and two equivalent Hg(4) atoms. The Sr(5)-Hg(2) bond length is 3.77 Å. The Sr(5)-Hg(3) bond length is 3.19 Å. There is one shorter (2.41 Å) and one longer (3.87 Å) Sr(5)-Hg(4) bond length. In the sixth Sr site, Sr(6) is bonded in a 1-coordinate geometry to one Hg(1), one Hg(4), and two equivalent Hg(3) atoms. The Sr(6)-Hg(1) bond length is 3.19 Å. The Sr(6)-Hg(4) bond length is 3.77 Å. There is one shorter (2.41 Å) and one longer (3.87 Å) Sr(6)-Hg(3) bond length. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(6), and two equivalent Sr(3) atoms. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(5), and two equivalent Sr(4) atoms. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(5), and two equivalent Sr(6) atoms. In the fourth Hg site, Hg(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(6), and two equivalent Sr(5) atoms.