data_Sc2MnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnTc
_chemical_formula_sum   'Sc2 Mn1 Tc1'
_cell_volume   65.68
_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  0.61  0.61  0.55  1.0
  Sc  Sc2  1  0.61  0.61  0.81  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.18  1.0

data_Sc2MnTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MnTc
_chemical_formula_sum   'Sc4 Mn2 Tc2'
_cell_volume   131.36
_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  0.11  0.5  0.55  1.0
  Sc  Sc1  2  0.11  0.5  0.81  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.18  1.0

Sc Sc Mn Tc
Sc Sc Mn Tc 0 1 o o o 2 3 o o o 
Sc2TcMn crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), and four equivalent Tc(1) atoms. The Sc(1)-Sc(2) bond length is 1.61 Å. All Sc(1)-Sc(1) bond lengths are 3.21 Å. There are a spread of Sc(1)-Tc(1) bond distances ranging from 2.97-3.64 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Sc(1) and four equivalent Mn(1) atoms. There are a spread of Sc(2)-Mn(1) bond distances ranging from 2.17-3.02 Å. Tc(1) is bonded in a single-bond geometry to four equivalent Sc(1) and one Mn(1) atom. The Tc(1)-Mn(1) bond length is 1.14 Å. Mn(1) is bonded in a distorted single-bond geometry to four equivalent Sc(2) and one Tc(1) atom.