data_MgTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.53
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaTc2
_chemical_formula_sum   'Mg1 Ta1 Tc2'
_cell_volume   64.1
_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  0.87  0.0  0.54  1.0
  Ta  Ta1  1  0.79  0.27  0.93  1.0
  Tc  Tc2  1  0.68  0.0  0.01  1.0
  Tc  Tc3  1  0.82  0.27  0.3  1.0

data_MgTaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.53
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaTc2
_chemical_formula_sum   'Mg1 Ta1 Tc2'
_cell_volume   64.1
_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  0.87  0.0  0.54  1.0
  Ta  Ta1  1  0.79  0.27  0.93  1.0
  Tc  Tc2  1  0.68  0.0  0.01  1.0
  Tc  Tc3  1  0.82  0.27  0.3  1.0

Mg Ta Tc Tc
Mg Ta Tc Tc 0 3 o o o 1 2 o o + 1 3 o o + 2 3 o o o 
MgTcTcTa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTc cluster and one TcTa cluster. In the MgTc cluster, Mg(1) is bonded in a distorted single-bond geometry to one Tc(2) atom. The Mg(1)-Tc(2) bond length is 1.74 Å. Tc(2) is bonded in a 1-coordinate geometry to one Mg(1) atom. In the TcTa cluster, Ta(1) is bonded in a distorted single-bond geometry to one Tc(1) atom. The Ta(1)-Tc(1) bond length is 1.34 Å. Tc(1) is bonded in a single-bond geometry to one Ta(1) atom.