data_ScMn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.99
_cell_angle_alpha   103.0
_cell_angle_beta   103.0
_cell_angle_gamma   35.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Hg
_chemical_formula_sum   'Sc1 Mn2 Hg1'
_cell_volume   72.88
_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  0.0  1.0
  Mn  Mn1  1  0.48  0.0  0.69  1.0
  Mn  Mn2  1  0.99  0.0  0.15  1.0
  Hg  Hg0  1  0.24  0.0  0.42  1.0

data_ScMn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.99
_cell_length_c   5.07
_cell_angle_alpha   103.0
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Hg
_chemical_formula_sum   'Sc1 Mn2 Hg1'
_cell_volume   72.88
_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  Sc0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.15  0.99  1.0
  Mn  Mn2  1  0.0  0.69  0.48  1.0
  Hg  Hg3  1  0.0  0.42  0.24  1.0

Sc Mn Mn Hg
ScMn2Hg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScMn2Hg cluster. Sc(1) is bonded in a single-bond geometry to one Mn(2) atom. The Sc(1)-Mn(2) bond length is 0.78 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Hg(1) atom. The Mn(1)-Hg(1) bond length is 1.60 Å. In the second Mn site, Mn(2) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Hg(1) atom. The Mn(2)-Hg(1) bond length is 1.60 Å. Hg(1) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom.