data_Re2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   147.01
_cell_angle_beta   129.4
_cell_angle_gamma   61.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcSe
_chemical_formula_sum   'Re2 Tc1 Se1'
_cell_volume   59.71
_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
  Re  Re0  1  0.0  0.0  0.02  1.0
  Re  Re1  1  0.49  0.0  0.43  1.0
  Tc  Tc3  1  0.0  0.24  0.04  1.0
  Se  Se2  1  0.0  0.0  0.5  1.0

data_Re2TcSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.47
_cell_length_c   5.23
_cell_angle_alpha   115.3
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcSe
_chemical_formula_sum   'Re2 Tc1 Se1'
_cell_volume   59.71
_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
  Re  Re0  1  0.05  0.57  0.05  1.0
  Tc  Tc1  1  0.96  0.2  0.2  1.0
  Re  Re2  1  0.98  0.98  0.98  1.0
  Se  Se3  1  0.5  0.5  0.5  1.0

Re Re Tc Se
Re2TcSe crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one Re(2), one Tc(1), and one Se(1) atom. The Re(1)-Re(2) bond length is 2.05 Å. The Re(1)-Tc(1) bond length is 1.15 Å. The Re(1)-Se(1) bond length is 2.54 Å. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one Re(1), one Tc(1), and two equivalent Se(1) atoms. The Re(2)-Tc(1) bond length is 2.13 Å. There is one shorter (2.48 Å) and one longer (2.78 Å) Re(2)-Se(1) bond length. Tc(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and two equivalent Se(1) atoms. There is one shorter (1.89 Å) and one longer (2.36 Å) Tc(1)-Se(1) bond length. Se(1) is bonded in a 5-coordinate geometry to one Re(1), two equivalent Re(2), and two equivalent Tc(1) atoms.