data_Sc2TcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   8.55
_cell_angle_alpha   22.04
_cell_angle_beta   22.04
_cell_angle_gamma   22.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcAu
_chemical_formula_sum   'Sc2 Tc1 Au1'
_cell_volume   77.05
_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  0.59  1.0
  Sc  Sc2  1  0.0  0.0  0.42  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.5  1.0

data_Sc2TcAu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.66
_cell_length_b   3.27
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   102.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Sc2TcAu
_chemical_formula_sum   'Sc4 Tc2 Au2'
_cell_volume   154.1
_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  4  0.0  0.0  0.41  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.5  1.0

Sc Sc Tc Au
Sc Sc Tc Au 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
Sc2TcAu crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Tc(1) and one Au(1) atom. The Sc(1)-Tc(1) bond length is 3.53 Å. The Sc(1)-Au(1) bond length is 0.72 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Tc(1) and one Au(1) atom. The Sc(2)-Tc(1) bond length is 3.57 Å. The Sc(2)-Au(1) bond length is 0.72 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Sc(1); one Sc(2); and six Tc(1,1) atoms to form a mixture of distorted corner and edge-sharing TcSc2Tc6 hexagonal bipyramids. All Tc(1)-Tc(1,1) bond lengths are 3.27 Å. In the second Tc site, Tc(1) is bonded to one Sc(1); one Sc(2); and six Tc(1,1) atoms to form a mixture of distorted corner and edge-sharing TcSc2Tc6 hexagonal bipyramids. The Tc(1)-Sc(1) bond length is 3.53 Å. The Tc(1)-Sc(2) bond length is 3.57 Å. Both Tc(1)-Tc(1) bond lengths are 3.27 Å. Au(1) is bonded in a linear geometry to one Sc(1) and one Sc(2) atom.