data_CaCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoTc2
_chemical_formula_sum   'Ca1 Co1 Tc2'
_cell_volume   68.89
_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
  Ca  Ca0  1  0.0  0.0  0.61  1.0
  Co  Co1  1  0.56  0.56  0.7  1.0
  Tc  Tc2  1  0.0  0.0  0.03  1.0
  Tc  Tc3  1  0.56  0.56  0.32  1.0

data_CaCoTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCoTc2
_chemical_formula_sum   'Ca2 Co2 Tc4'
_cell_volume   137.78
_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
  Ca  Ca0  2  0.0  0.0  0.61  1.0
  Co  Co1  2  0.06  0.5  0.7  1.0
  Tc  Tc2  2  0.0  0.0  0.03  1.0
  Tc  Tc3  2  0.06  0.5  0.32  1.0

Ca Co Tc Tc
Ca Co Tc Tc 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o + 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 + + + 1 2 + o + 1 2 o + + 1 2 o o + 1 3 o o o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
CaTc2Co crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 9-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent Co(1) atoms. The Ca(1)-Tc(1) bond length is 3.00 Å. There are a spread of Ca(1)-Tc(2) bond distances ranging from 2.82-3.22 Å. There are a spread of Ca(1)-Co(1) bond distances ranging from 2.05-2.57 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 13-coordinate geometry to one Ca(1), four equivalent Tc(1), four equivalent Tc(2), and four equivalent Co(1) atoms. All Tc(1)-Tc(1) bond lengths are 3.12 Å. There are a spread of Tc(1)-Tc(2) bond distances ranging from 2.79-3.19 Å. There are a spread of Tc(1)-Co(1) bond distances ranging from 3.03-3.41 Å. In the second Tc site, Tc(2) is bonded in a 13-coordinate geometry to four equivalent Ca(1), four equivalent Tc(1), four equivalent Tc(2), and one Co(1) atom. All Tc(2)-Tc(2) bond lengths are 3.12 Å. The Tc(2)-Co(1) bond length is 2.72 Å. Co(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1), one Tc(2), and four equivalent Tc(1) atoms.