data_RbTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTc2Ir
_chemical_formula_sum   'Rb1 Tc2 Ir1'
_cell_volume   68.29
_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
  Rb  Rb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.62  0.62  0.62  1.0
  Tc  Tc3  1  0.87  0.87  0.87  1.0
  Ir  Ir0  1  0.24  0.24  0.24  1.0

data_RbTc2Ir
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbTc2Ir
_chemical_formula_sum   'Rb3 Tc6 Ir3'
_cell_volume   204.88
_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
  Rb  Rb0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.13  1.0
  Tc  Tc2  3  0.0  0.0  0.38  1.0
  Ir  Ir3  3  0.0  0.0  0.76  1.0

Rb Tc Tc Ir
Rb Tc Tc Ir 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 + + o 2 3 + o + 2 3 o + + 
RbTc2Ir crystallizes in the trigonal R3m space group. Rb(1) is bonded in a single-bond geometry to one Tc(2), three equivalent Tc(1), and four equivalent Ir(1) atoms. The Rb(1)-Tc(2) bond length is 1.50 Å. All Rb(1)-Tc(1) bond lengths are 2.70 Å. There is one shorter (2.75 Å) and three longer (2.83 Å) Rb(1)-Ir(1) bond lengths. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1) and three equivalent Ir(1) atoms. All Tc(1)-Ir(1) bond lengths are 2.70 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Rb(1) and three equivalent Ir(1) atoms. All Tc(2)-Ir(1) bond lengths are 2.70 Å. Ir(1) is bonded in a 10-coordinate geometry to four equivalent Rb(1), three equivalent Tc(1), and three equivalent Tc(2) atoms.