data_Tc4IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4IrPt
_chemical_formula_sum   'Tc4 Ir1 Pt1'
_cell_volume   92.17
_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
  Tc  Tc2  1  0.69  0.69  0.48  1.0
  Tc  Tc3  1  0.69  0.48  0.69  1.0
  Tc  Tc4  1  0.48  0.69  0.69  1.0
  Tc  Tc5  1  0.48  0.48  0.48  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.79  0.79  0.79  1.0

data_Tc4IrPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc4IrPt
_chemical_formula_sum   'Tc12 Ir3 Pt3'
_cell_volume   276.5
_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
  Tc  Tc0  9  0.14  0.07  0.38  1.0
  Tc  Tc1  3  0.0  0.0  0.52  1.0
  Ir  Ir2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.21  1.0

Tc Tc Tc Tc Ir Pt
Tc Tc Tc Tc Ir Pt 0 1 o o o 0 2 o o o 0 3 o o o 0 4 + + o 0 5 o o o 1 2 o o o 1 3 o o o 1 4 + o + 1 5 o o o 2 3 o o o 2 4 o + + 2 5 o o o 4 5 - - - 
Tc4IrPt crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 6-coordinate geometry to one Tc(2), two equivalent Tc(1), one Ir(1), and two equivalent Pt(1) atoms. The Tc(1)-Tc(2) bond length is 1.89 Å. Both Tc(1)-Tc(1) bond lengths are 1.09 Å. The Tc(1)-Ir(1) bond length is 2.36 Å. There is one shorter (2.22 Å) and one longer (3.05 Å) Tc(1)-Pt(1) bond length. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to three equivalent Tc(1), three equivalent Ir(1), and three equivalent Pt(1) atoms. All Tc(2)-Ir(1) bond lengths are 3.43 Å. All Tc(2)-Pt(1) bond lengths are 2.94 Å. Ir(1) is bonded in a 4-coordinate geometry to three equivalent Tc(1), three equivalent Tc(2), and one Pt(1) atom. The Ir(1)-Pt(1) bond length is 2.58 Å. Pt(1) is bonded in a 7-coordinate geometry to three equivalent Tc(2), six equivalent Tc(1), and one Ir(1) atom.