data_TcPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Se
_chemical_formula_sum   'Tc1 Pt2 Se1'
_cell_volume   64.71
_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  Tc3  1  0.45  0.45  0.73  1.0
  Pt  Pt0  1  0.0  0.0  0.57  1.0
  Pt  Pt1  1  0.45  0.45  0.81  1.0
  Se  Se2  1  0.0  0.0  0.16  1.0

data_TcPt2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPt2Se
_chemical_formula_sum   'Tc2 Pt4 Se2'
_cell_volume   129.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tc0  2  0.45  0.0  0.73  1.0
  Pt  Pt1  2  0.0  0.0  0.57  1.0
  Pt  Pt2  2  0.45  0.0  0.81  1.0
  Se  Se3  2  0.0  0.0  0.16  1.0

Tc Pt Pt Se
TcPt2Se crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a single-bond geometry to one Pt(2) and four equivalent Pt(1) atoms. The Tc(1)-Pt(2) bond length is 0.61 Å. There are a spread of Tc(1)-Pt(1) bond distances ranging from 2.21-2.57 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to four equivalent Tc(1) and one Se(1) atom. The Pt(1)-Se(1) bond length is 3.15 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Tc(1) and one Se(1) atom. The Pt(2)-Se(1) bond length is 3.28 Å. Se(1) is bonded in a 6-coordinate geometry to one Pt(1), one Pt(2), and four equivalent Se(1) atoms. All Se(1)-Se(1) bond lengths are 2.90 Å.