data_SrTcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcSn
_chemical_formula_sum   'Sr1 Tc1 Sn1'
_cell_volume   82.66
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.46  0.46  0.46  1.0
  Sn  Sn0  1  0.73  0.73  0.73  1.0

data_SrTcSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTcSn
_chemical_formula_sum   'Sr3 Tc3 Sn3'
_cell_volume   247.98
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.54  1.0
  Sn  Sn2  3  0.0  0.0  0.27  1.0

Sr Tc Sn
Sr Tc Sn 0 2 - - - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 
SrTcSn is half-Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to six equivalent Tc(1) and four equivalent Sn(1) atoms. There are three shorter (3.19 Å) and three longer (3.77 Å) Sr(1)-Tc(1) bond lengths. There are three shorter (2.92 Å) and one longer (3.25 Å) Sr(1)-Sn(1) bond length. Tc(1) is bonded in a 10-coordinate geometry to six equivalent Sr(1) and four equivalent Sn(1) atoms. There are three shorter (2.92 Å) and one longer (3.25 Å) Tc(1)-Sn(1) bond length. Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Tc(1) atoms.