data_MgTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.67
_cell_angle_alpha   103.78
_cell_angle_beta   103.78
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Os
_chemical_formula_sum   'Mg1 Tc2 Os1'
_cell_volume   61.23
_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
  Tc  Tc2  1  0.37  0.0  0.29  1.0
  Tc  Tc3  1  0.04  0.0  0.23  1.0
  Os  Os1  1  0.2  0.0  0.26  1.0

data_MgTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.67
_cell_length_c   4.99
_cell_angle_alpha   103.78
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Os
_chemical_formula_sum   'Mg1 Tc2 Os1'
_cell_volume   61.23
_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
  Tc  Tc1  1  0.0  0.23  0.04  1.0
  Tc  Tc2  1  0.0  0.29  0.37  1.0
  Os  Os3  1  0.0  0.26  0.2  1.0

Mg Tc Tc Os
Mg Tc Tc Os 0 2 o o o 1 3 o o o 2 3 o o o 
MgTc2Os crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTc2Os cluster. Mg(1) is bonded in a distorted single-bond geometry to one Tc(2) and one Os(1) atom. The Mg(1)-Tc(2) bond length is 1.06 Å. The Mg(1)-Os(1) bond length is 1.40 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Os(1) atom. The Tc(1)-Os(1) bond length is 0.80 Å. In the second Tc site, Tc(2) is bonded in an L-shaped geometry to one Mg(1) and one Os(1) atom. The Tc(2)-Os(1) bond length is 0.80 Å. Os(1) is bonded in a distorted linear geometry to one Mg(1), one Tc(1), and one Tc(2) atom.