data_ScCrHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrHg2
_chemical_formula_sum   'Sc1 Cr1 Hg2'
_cell_volume   77.6
_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  Sc3  1  0.0  0.0  0.14  1.0
  Cr  Cr0  1  0.0  0.0  0.23  1.0
  Hg  Hg1  1  0.0  0.0  0.28  1.0
  Hg  Hg2  1  0.0  0.0  0.5  1.0

data_ScCrHg2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.01
_cell_length_b   4.41
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ScCrHg2
_chemical_formula_sum   'Sc2 Cr2 Hg4'
_cell_volume   155.21
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.86  1.0
  Cr  Cr1  2  0.0  0.0  0.77  1.0
  Hg  Hg2  2  0.0  0.0  0.5  1.0
  Hg  Hg3  2  0.0  0.0  0.72  1.0

Sc Cr Hg Hg
ScCrHg2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScCrHg2 cluster. Sc(1) is bonded in a single-bond geometry to one Cr(1) atom. The Sc(1)-Cr(1) bond length is 0.79 Å. Cr(1) is bonded in a linear geometry to one Sc(1) and one Hg(1) atom. The Cr(1)-Hg(1) bond length is 0.43 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Cr(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.94 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Hg(1) atom.