data_SrTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr1 Tc1 Ir2'
_cell_volume   73.07
_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  Sr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.32  0.32  0.32  1.0
  Ir  Ir0  1  0.98  0.98  0.98  1.0
  Ir  Ir1  1  0.66  0.66  0.66  1.0

data_SrTcIr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr3 Tc3 Ir6'
_cell_volume   219.22
_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  0.68  1.0
  Ir  Ir2  3  0.0  0.0  0.02  1.0
  Ir  Ir3  3  0.0  0.0  0.34  1.0

Sr Tc Ir Ir
Sr Tc Ir Ir 0 2 - - - 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 - - o 1 2 - o - 1 2 o - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 + o o 2 3 o + o 2 3 o o + 
SrTcIr2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to four equivalent Tc(1), one Ir(1), and three equivalent Ir(2) atoms. There are three shorter (2.71 Å) and one longer (3.66 Å) Sr(1)-Tc(1) bond length. The Sr(1)-Ir(1) bond length is 0.26 Å. All Sr(1)-Ir(2) bond lengths are 2.71 Å. Tc(1) is bonded in a distorted q6 geometry to four equivalent Sr(1), three equivalent Ir(1), and three equivalent Ir(2) atoms. All Tc(1)-Ir(1) bond lengths are 2.71 Å. All Tc(1)-Ir(2) bond lengths are 2.71 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Sr(1) and three equivalent Tc(1) atoms. In the second Ir site, Ir(2) is bonded in a distorted hexagonal planar geometry to three equivalent Sr(1) and three equivalent Tc(1) atoms.