data_AlCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Tc
_chemical_formula_sum   'Al1 Co2 Tc1'
_cell_volume   49.69
_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
  Al  Al0  1  0.0  0.0  0.13  1.0
  Co  Co1  1  0.37  0.37  0.02  1.0
  Co  Co2  1  0.0  0.0  0.58  1.0
  Tc  Tc3  1  0.37  0.37  0.21  1.0

data_AlCo2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCo2Tc
_chemical_formula_sum   'Al2 Co4 Tc2'
_cell_volume   99.39
_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
  Al  Al0  2  0.0  0.0  0.13  1.0
  Co  Co1  2  0.0  0.0  0.58  1.0
  Co  Co2  2  0.37  0.0  0.02  1.0
  Tc  Tc3  2  0.37  0.0  0.21  1.0

Al Co Co Tc
Al Co Co Tc 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 
TcCo2Al crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 2-coordinate geometry to one Co(1), three equivalent Co(2), and one Al(1) atom. The Tc(1)-Co(1) bond length is 1.26 Å. There is one shorter (2.81 Å) and two longer (3.14 Å) Tc(1)-Co(2) bond lengths. The Tc(1)-Al(1) bond length is 1.53 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Tc(1), one Co(2), and one Al(1) atom. The Co(1)-Co(2) bond length is 3.27 Å. The Co(1)-Al(1) bond length is 1.59 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Tc(1), one Co(1), four equivalent Co(2), and one Al(1) atom. All Co(2)-Co(2) bond lengths are 2.74 Å. The Co(2)-Al(1) bond length is 2.99 Å. Al(1) is bonded in a 2-coordinate geometry to one Tc(1), one Co(1), and one Co(2) atom.