data_CaTcRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcRh4
_chemical_formula_sum   'Ca1 Tc1 Rh4'
_cell_volume   98.61
_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
  Tc  Tc5  1  0.5  0.5  0.5  1.0
  Rh  Rh1  1  0.58  0.58  0.75  1.0
  Rh  Rh2  1  0.58  0.75  0.58  1.0
  Rh  Rh3  1  0.75  0.58  0.58  1.0
  Rh  Rh4  1  0.75  0.75  0.75  1.0

data_CaTcRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaTcRh4
_chemical_formula_sum   'Ca3 Tc3 Rh12'
_cell_volume   295.84
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.5  1.0
  Rh  Rh2  9  0.06  0.11  0.36  1.0
  Rh  Rh3  3  0.0  0.0  0.25  1.0

Ca Tc Rh Rh Rh Rh
Ca Tc Rh Rh Rh Rh 0 5 - - - 0 5 - - o 0 5 o - - 0 5 - o - 0 4 - - o 0 4 - o - 0 3 - - o 0 3 o - - 0 2 - o - 0 2 o - - 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
CaTcRh4 crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 7-coordinate geometry to four equivalent Rh(2) and six equivalent Rh(1) atoms. There is one shorter (3.16 Å) and three longer (3.18 Å) Ca(1)-Rh(2) bond lengths. All Ca(1)-Rh(1) bond lengths are 2.80 Å. Tc(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. All Tc(1)-Rh(1) bond lengths are 1.83 Å. All Tc(1)-Rh(2) bond lengths are 3.17 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 10-coordinate geometry to four equivalent Ca(1), three equivalent Tc(1), and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.52 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1), one Tc(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 0.88 Å.