data_ScNbTcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbTcOs
_chemical_formula_sum   'Sc1 Nb1 Tc1 Os1'
_cell_volume   64.98
_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  Sc2  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.79  0.79  0.79  1.0
  Tc  Tc3  1  0.19  0.19  0.19  1.0
  Os  Os1  1  0.6  0.6  0.6  1.0

data_ScNbTcOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScNbTcOs
_chemical_formula_sum   'Sc3 Nb3 Tc3 Os3'
_cell_volume   194.95
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.21  1.0
  Tc  Tc2  3  0.0  0.0  0.81  1.0
  Os  Os3  3  0.0  0.0  0.4  1.0

Sc Nb Tc Os
Sc Nb Tc Os 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 o o o 1 3 o o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 
ScNbTcOs crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 5-coordinate geometry to four equivalent Nb(1), one Tc(1), and three equivalent Os(1) atoms. There is one shorter (2.36 Å) and three longer (2.92 Å) Sc(1)-Nb(1) bond lengths. The Sc(1)-Tc(1) bond length is 2.11 Å. All Sc(1)-Os(1) bond lengths are 2.72 Å. Nb(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), three equivalent Tc(1), and four equivalent Os(1) atoms. All Nb(1)-Tc(1) bond lengths are 2.72 Å. There is one shorter (2.11 Å) and three longer (3.04 Å) Nb(1)-Os(1) bond lengths. Tc(1) is bonded in a distorted single-bond geometry to one Sc(1) and three equivalent Nb(1) atoms. Os(1) is bonded in a 1-coordinate geometry to three equivalent Sc(1) and four equivalent Nb(1) atoms.