data_CaReTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaReTc2
_chemical_formula_sum   'Ca1 Re1 Tc2'
_cell_volume   71.13
_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  0.0  1.0
  Re  Re1  1  0.0  0.0  0.09  1.0
  Tc  Tc2  1  0.47  0.47  0.76  1.0
  Tc  Tc3  1  0.47  0.47  0.41  1.0

data_CaReTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaReTc2
_chemical_formula_sum   'Ca2 Re2 Tc4'
_cell_volume   142.26
_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  0.0  1.0
  Re  Re1  2  0.0  0.0  0.09  1.0
  Tc  Tc2  2  0.47  0.0  0.41  1.0
  Tc  Tc3  2  0.47  0.0  0.76  1.0

Ca Re Tc Tc
CaReTc2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Re(1) and four equivalent Tc(1) atoms. The Ca(1)-Re(1) bond length is 0.71 Å. There are a spread of Ca(1)-Tc(1) bond distances ranging from 2.78-2.93 Å. Re(1) is bonded in a single-bond geometry to one Ca(1) and four equivalent Tc(2) atoms. There are a spread of Re(1)-Tc(2) bond distances ranging from 3.32-3.45 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Tc(2), and four equivalent Tc(1) atoms. The Tc(1)-Tc(2) bond length is 2.84 Å. All Tc(1)-Tc(1) bond lengths are 2.95 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to four equivalent Re(1), one Tc(1), and four equivalent Tc(2) atoms. All Tc(2)-Tc(2) bond lengths are 2.95 Å.