data_TcPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt5
_chemical_formula_sum   'Tc1 Pt5'
_cell_volume   100.26
_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  Tc5  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.61  0.77  0.77  1.0
  Pt  Pt1  1  0.84  0.84  0.84  1.0
  Pt  Pt2  1  0.77  0.61  0.77  1.0
  Pt  Pt3  1  0.77  0.77  0.61  1.0
  Pt  Pt4  1  0.61  0.61  0.61  1.0

data_TcPt5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcPt5
_chemical_formula_sum   'Tc3 Pt15'
_cell_volume   300.77
_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  3  0.0  0.0  0.0  1.0
  Pt  Pt1  9  0.1  0.05  0.29  1.0
  Pt  Pt2  3  0.0  0.0  0.16  1.0
  Pt  Pt3  3  0.0  0.0  0.39  1.0

Tc Pt Pt Pt Pt Pt
TcPt5 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a distorted tetrahedral geometry to one Pt(2) and three equivalent Pt(1) atoms. The Tc(1)-Pt(2) bond length is 2.00 Å. All Tc(1)-Pt(1) bond lengths are 2.61 Å. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to one Tc(1), one Pt(2), one Pt(3), and two equivalent Pt(1) atoms. The Pt(1)-Pt(2) bond length is 1.73 Å. The Pt(1)-Pt(3) bond length is 1.41 Å. Both Pt(1)-Pt(1) bond lengths are 0.82 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Tc(1) and three equivalent Pt(1) atoms. In the third Pt site, Pt(3) is bonded in a 3-coordinate geometry to three equivalent Pt(1) atoms.