data_ScZn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Hg
_chemical_formula_sum   'Sc1 Zn2 Hg1'
_cell_volume   75.25
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.63  0.63  0.79  1.0
  Zn  Zn3  1  0.63  0.63  0.26  1.0
  Hg  Hg0  1  0.0  0.0  0.52  1.0

data_ScZn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZn2Hg
_chemical_formula_sum   'Sc2 Zn4 Hg2'
_cell_volume   150.49
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.13  0.5  0.26  1.0
  Zn  Zn2  2  0.13  0.5  0.79  1.0
  Hg  Hg3  2  0.0  0.0  0.52  1.0

Sc Zn Zn Hg
ScHgZn2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 2-coordinate geometry to one Zn(2) and four equivalent Zn(1) atoms. The Sc(1)-Zn(2) bond length is 2.51 Å. There are a spread of Sc(1)-Zn(1) bond distances ranging from 2.27-3.30 Å. Hg(1) is bonded in a 6-coordinate geometry to three equivalent Zn(1) and three equivalent Zn(2) atoms. There is one shorter (2.50 Å) and two longer (3.02 Å) Hg(1)-Zn(1) bond lengths. There is one shorter (2.50 Å) and two longer (3.02 Å) Hg(1)-Zn(2) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to four equivalent Sc(1) and three equivalent Hg(1) atoms. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Sc(1) and three equivalent Hg(1) atoms.