data_Sr2ScHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   129.12
_cell_angle_beta   129.12
_cell_angle_gamma   74.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScHg
_chemical_formula_sum   'Sr2 Sc1 Hg1'
_cell_volume   133.37
_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  0.62  0.0  0.42  1.0
  Sr  Sr3  1  0.0  0.62  0.42  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.85  1.0

data_Sr2ScHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   127.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScHg
_chemical_formula_sum   'Sr4 Sc2 Hg2'
_cell_volume   266.74
_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  4  0.19  0.19  0.8  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.0  0.0  0.85  1.0

Sr Sr Sc Hg
Sr2ScHg is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2ScHg clusters. Sr(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Sr(1)-Hg(1) bond length is 2.12 Å. Sc(1) is bonded in a single-bond geometry to one Hg(1) atom. The Sc(1)-Hg(1) bond length is 0.92 Å. Hg(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Sc(1) atom.