data_CaCuTcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuTcPd
_chemical_formula_sum   'Ca1 Cu1 Tc1 Pd1'
_cell_volume   70.73
_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
  Cu  Cu1  1  0.92  0.92  0.92  1.0
  Tc  Tc3  1  0.28  0.28  0.28  1.0
  Pd  Pd2  1  0.64  0.64  0.64  1.0

data_CaCuTcPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   11.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaCuTcPd
_chemical_formula_sum   'Ca3 Cu3 Tc3 Pd3'
_cell_volume   212.18
_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
  Cu  Cu1  3  0.0  0.0  0.08  1.0
  Tc  Tc2  3  0.0  0.0  0.72  1.0
  Pd  Pd3  3  0.0  0.0  0.36  1.0

Ca Cu Tc Pd
CaTcPdCu crystallizes in the trigonal R3m space group. Ca(1) is bonded in a single-bond geometry to four equivalent Tc(1), three equivalent Pd(1), and one Cu(1) atom. There are three shorter (2.74 Å) and one longer (3.21 Å) Ca(1)-Tc(1) bond length. All Ca(1)-Pd(1) bond lengths are 2.70 Å. The Ca(1)-Cu(1) bond length is 0.87 Å. Tc(1) is bonded in a 10-coordinate geometry to four equivalent Ca(1), three equivalent Pd(1), and three equivalent Cu(1) atoms. All Tc(1)-Pd(1) bond lengths are 2.70 Å. All Tc(1)-Cu(1) bond lengths are 2.70 Å. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Tc(1), and four equivalent Cu(1) atoms. There are three shorter (2.74 Å) and one longer (3.21 Å) Pd(1)-Cu(1) bond length. Cu(1) is bonded in a single-bond geometry to one Ca(1), three equivalent Tc(1), and four equivalent Pd(1) atoms.