data_ScTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   102.63
_cell_angle_beta   102.63
_cell_angle_gamma   124.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc4
_chemical_formula_sum   'Sc1 Tc4'
_cell_volume   79.94
_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
  Tc  Tc1  1  0.76  0.69  0.24  1.0
  Tc  Tc2  1  0.68  0.23  0.0  1.0
  Tc  Tc3  1  0.23  0.3  0.0  1.0
  Tc  Tc4  1  0.31  0.76  0.24  1.0

data_ScTc4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   77.37
_cell_angle_beta   62.12
_cell_angle_gamma   62.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc4
_chemical_formula_sum   'Sc1 Tc4'
_cell_volume   79.94
_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
  Tc  Tc1  1  0.23  -0.0  0.45  1.0
  Tc  Tc2  1  0.3  0.0  0.94  1.0
  Tc  Tc3  1  0.46  0.24  0.06  1.0
  Tc  Tc4  1  0.52  0.24  0.55  1.0

Sc Tc Tc Tc Tc
Sc Tc Tc Tc Tc 0 3 o o o 0 1 - - o 0 2 - o o 0 4 o - o 1 3 o o o 1 4 o o o 1 4 + o o 1 2 o o o 2 3 o o o 2 3 + o o 2 4 + o o 2 4 o - o 3 4 o o o 
ScTc4 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 1-coordinate geometry to one Tc(1), one Tc(2), one Tc(3), and one Tc(4) atom. The Sc(1)-Tc(1) bond length is 2.04 Å. The Sc(1)-Tc(2) bond length is 2.33 Å. The Sc(1)-Tc(3) bond length is 1.21 Å. The Sc(1)-Tc(4) bond length is 2.56 Å. There are four inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Sc(1) and two equivalent Tc(4) atoms. There is one shorter (2.34 Å) and one longer (2.47 Å) Tc(1)-Tc(4) bond length. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to one Sc(1) and three equivalent Tc(4) atoms. There are a spread of Tc(2)-Tc(4) bond distances ranging from 2.31-3.26 Å. In the third Tc site, Tc(3) is bonded in a single-bond geometry to one Sc(1) and one Tc(4) atom. The Tc(3)-Tc(4) bond length is 2.03 Å. In the fourth Tc site, Tc(4) is bonded in a 7-coordinate geometry to one Sc(1), one Tc(3), two equivalent Tc(1), and three equivalent Tc(2) atoms.