data_Sr2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.94
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReHg
_chemical_formula_sum   'Sr2 Re1 Hg1'
_cell_volume   109.59
_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  Sr2  1  0.61  0.97  0.92  1.0
  Sr  Sr3  1  0.57  0.97  0.6  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.96  0.0  0.26  1.0

data_Sr2ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.94
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReHg
_chemical_formula_sum   'Sr2 Re1 Hg1'
_cell_volume   109.59
_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  0.57  0.97  0.6  1.0
  Sr  Sr1  1  0.61  0.97  0.92  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.96  0.0  0.26  1.0

Sr Sr Re Hg
Sr Sr Re Hg 0 2 + + + 0 1 o o o 1 3 - + o 1 3 o + o 1 1 + o o 2 3 - o o 
Sr2ReHg crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Sr(2) and two equivalent Re(1) atoms. The Sr(1)-Sr(2) bond length is 2.74 Å. There is one shorter (1.44 Å) and one longer (2.12 Å) Sr(1)-Re(1) bond length. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one Sr(1), four equivalent Sr(2), and two equivalent Hg(1) atoms. There are two shorter (3.26 Å) and two longer (3.94 Å) Sr(2)-Sr(2) bond lengths. There is one shorter (3.17 Å) and one longer (3.50 Å) Sr(2)-Hg(1) bond length. Re(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Hg(1) atom. The Re(1)-Hg(1) bond length is 2.21 Å. Hg(1) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Re(1) atom.