data_BaTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   123.13
_cell_angle_beta   123.13
_cell_angle_gamma   84.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcOs2
_chemical_formula_sum   'Ba1 Tc1 Os2'
_cell_volume   73.93
_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  0.28  0.0  0.77  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.55  1.0
  Os  Os2  1  0.0  0.28  0.77  1.0

data_BaTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.8
_cell_angle_alpha   118.43
_cell_angle_beta   118.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcOs2
_chemical_formula_sum   'Ba1 Tc1 Os2'
_cell_volume   73.93
_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  0.23  0.0  0.51  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.45  0.0  0.45  1.0
  Os  Os3  1  0.51  0.28  0.51  1.0

Ba Tc Os Os
Ba Tc Os Os 0 2 o o o 0 1 o o + 1 3 o o - 1 2 o o - 2 3 o o o 
BaTcOs2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a single-bond geometry to two equivalent Tc(1) and one Os(1) atom. There is one shorter (2.16 Å) and one longer (2.98 Å) Ba(1)-Tc(1) bond length. The Ba(1)-Os(1) bond length is 1.19 Å. Tc(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Os(1), and two equivalent Os(2) atoms. There is one shorter (2.18 Å) and one longer (2.61 Å) Tc(1)-Os(1) bond length. There is one shorter (2.16 Å) and one longer (2.98 Å) Tc(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Tc(1), and one Os(2) atom. The Os(1)-Os(2) bond length is 1.19 Å. In the second Os site, Os(2) is bonded in a 1-coordinate geometry to two equivalent Tc(1) and one Os(1) atom.