data_MgNb2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Tc
_chemical_formula_sum   'Mg1 Nb2 Tc1'
_cell_volume   68.99
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.74  0.3  0.44  1.0
  Nb  Nb2  1  0.94  0.3  0.99  1.0
  Tc  Tc3  1  0.84  0.0  0.72  1.0

data_MgNb2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Tc
_chemical_formula_sum   'Mg1 Nb2 Tc1'
_cell_volume   68.99
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.74  0.3  0.44  1.0
  Nb  Nb2  1  0.94  0.3  0.99  1.0
  Tc  Tc3  1  0.84  0.0  0.72  1.0

Mg Nb Nb Tc
Mg Nb Nb Tc 0 3 - o - 0 2 - o - 1 3 o o o 
MgNb2Tc crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgNb2Tc cluster. Mg(1) is bonded in an L-shaped geometry to one Nb(2) and one Tc(1) atom. The Mg(1)-Nb(2) bond length is 1.40 Å. The Mg(1)-Tc(1) bond length is 1.55 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Tc(1) atom. The Nb(1)-Tc(1) bond length is 2.03 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Mg(1) atom. Tc(1) is bonded in a 1-coordinate geometry to one Mg(1) and one Nb(1) atom.