data_BaSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.38
_cell_angle_alpha   105.8
_cell_angle_beta   105.8
_cell_angle_gamma   49.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Tc
_chemical_formula_sum   'Ba1 Si2 Tc1'
_cell_volume   90.04
_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
  Ba  Ba0  1  0.04  0.0  0.04  1.0
  Si  Si1  1  0.53  0.0  0.4  1.0
  Si  Si2  1  0.56  0.0  0.69  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_BaSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.41
_cell_length_c   6.38
_cell_angle_alpha   105.8
_cell_angle_beta   90.0
_cell_angle_gamma   114.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Tc
_chemical_formula_sum   'Ba1 Si2 Tc1'
_cell_volume   90.04
_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
  Ba  Ba0  1  0.0  0.96  0.96  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.44  0.31  1.0
  Si  Si3  1  0.0  0.47  0.6  1.0

Ba Si Si Tc
Ba Si Si Tc 0 3 o o o 1 2 o o o 
BaTcSi2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a single-bond geometry to one Tc(1) and three equivalent Si(1) atoms. The Ba(1)-Tc(1) bond length is 0.30 Å. There are a spread of Ba(1)-Si(1) bond distances ranging from 2.66-3.76 Å. Tc(1) is bonded in a single-bond geometry to one Ba(1) and one Si(2) atom. The Tc(1)-Si(2) bond length is 2.38 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 1.82 Å. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one Tc(1) and one Si(1) atom.