data_Tc2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   147.11
_cell_angle_beta   121.16
_cell_angle_gamma   69.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BiCl
_chemical_formula_sum   'Tc2 Bi1 Cl1'
_cell_volume   71.74
_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
  Tc  Tc2  1  0.0  0.65  0.4  1.0
  Tc  Tc3  1  0.53  0.0  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.44  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Tc2BiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.3
_cell_length_c   5.39
_cell_angle_alpha   119.42
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BiCl
_chemical_formula_sum   'Tc2 Bi1 Cl1'
_cell_volume   71.74
_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
  Tc  Tc0  1  0.0  0.04  0.52  1.0
  Tc  Tc1  1  0.35  0.75  0.75  1.0
  Bi  Bi2  1  0.0  0.44  0.44  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tc Tc Bi Cl
Tc Tc Bi Cl 0 2 o + o 0 3 o + + 0 3 o o o 0 1 o + + 1 2 o o - 1 2 + o o 1 3 o o o 1 3 + o o 2 3 o o o 
Tc2BiCl crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Cl(1) atoms. The Tc(1)-Bi(1) bond length is 1.71 Å. There is one shorter (1.95 Å) and one longer (2.05 Å) Tc(1)-Cl(1) bond length. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Cl(1) atoms. The Tc(2)-Bi(1) bond length is 2.34 Å. There is one shorter (2.68 Å) and one longer (2.72 Å) Tc(2)-Cl(1) bond length. Bi(1) is bonded in a 3-coordinate geometry to one Tc(1), one Tc(2), and one Cl(1) atom. The Bi(1)-Cl(1) bond length is 2.37 Å. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Tc(1), two equivalent Tc(2), and one Bi(1) atom.