data_BaCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoTc2
_chemical_formula_sum   'Ba1 Co1 Tc2'
_cell_volume   78.56
_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  0.0  0.9  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.59  0.59  0.18  1.0
  Tc  Tc3  1  0.59  0.59  0.61  1.0

data_BaCoTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCoTc2
_chemical_formula_sum   'Ba2 Co2 Tc4'
_cell_volume   157.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.9  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.09  0.5  0.18  1.0
  Tc  Tc3  2  0.09  0.5  0.61  1.0

Ba Co Tc Tc
Ba Co Tc Tc 0 1 o o + 0 2 o - + 0 2 - o + 0 2 - - + 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
BaTc2Co crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to four equivalent Tc(2) and one Co(1) atom. There are a spread of Ba(1)-Tc(2) bond distances ranging from 2.88-3.44 Å. The Ba(1)-Co(1) bond length is 0.81 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to one Tc(2), four equivalent Tc(1), and four equivalent Co(1) atoms. The Tc(1)-Tc(2) bond length is 3.38 Å. All Tc(1)-Tc(1) bond lengths are 3.18 Å. There are a spread of Tc(1)-Co(1) bond distances ranging from 2.32-2.99 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Tc(1), and four equivalent Tc(2) atoms. All Tc(2)-Tc(2) bond lengths are 3.18 Å. Co(1) is bonded in a single-bond geometry to one Ba(1) and four equivalent Tc(1) atoms.