data_CaTc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Rh
_chemical_formula_sum   'Ca1 Tc2 Rh1'
_cell_volume   70.77
_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  0.83  1.0
  Tc  Tc2  1  0.0  0.0  0.11  1.0
  Tc  Tc3  1  0.53  0.53  0.44  1.0
  Rh  Rh1  1  0.53  0.53  0.9  1.0

data_CaTc2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTc2Rh
_chemical_formula_sum   'Ca2 Tc4 Rh2'
_cell_volume   141.54
_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  0.83  1.0
  Tc  Tc1  2  0.0  0.0  0.11  1.0
  Tc  Tc2  2  0.03  0.5  0.44  1.0
  Rh  Rh3  2  0.03  0.5  0.9  1.0

Ca Tc Tc Rh
CaTc2Rh crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 5-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent Rh(1) atoms. The Ca(1)-Tc(1) bond length is 2.13 Å. There are a spread of Ca(1)-Tc(2) bond distances ranging from 3.55-3.73 Å. There are a spread of Ca(1)-Rh(1) bond distances ranging from 2.10-2.39 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Ca(1) and four equivalent Tc(2) atoms. There are a spread of Tc(1)-Tc(2) bond distances ranging from 3.18-3.38 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 Rh(1) atom. All Tc(2)-Tc(2) bond lengths are 3.07 Å. The Tc(2)-Rh(1) bond length is 3.48 Å. Rh(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and one Tc(2) atom.