data_Cd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Tc
_chemical_formula_sum   'Cd16 Tc8'
_cell_volume   485.14
_cell_formula_units_Z   8
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
  Cd  Cd0  1  0.56  0.68  0.68  1.0
  Cd  Cd1  1  0.68  0.56  0.68  1.0
  Cd  Cd2  1  0.68  0.68  0.56  1.0
  Cd  Cd3  1  0.56  0.56  0.56  1.0
  Cd  Cd4  1  0.24  0.24  0.58  1.0
  Cd  Cd5  1  0.24  0.58  0.24  1.0
  Cd  Cd6  1  0.58  0.24  0.24  1.0
  Cd  Cd7  1  0.9  0.24  0.24  1.0
  Cd  Cd8  1  0.24  0.9  0.24  1.0
  Cd  Cd9  1  0.24  0.24  0.9  1.0
  Cd  Cd10  1  0.35  0.35  0.01  1.0
  Cd  Cd11  1  0.35  0.01  0.35  1.0
  Cd  Cd12  1  0.01  0.35  0.35  1.0
  Cd  Cd13  1  0.7  0.35  0.35  1.0
  Cd  Cd14  1  0.35  0.7  0.35  1.0
  Cd  Cd15  1  0.35  0.35  0.7  1.0
  Tc  Tc16  1  0.51  0.51  0.51  1.0
  Tc  Tc17  1  0.2  0.2  0.51  1.0
  Tc  Tc18  1  0.2  0.51  0.2  1.0
  Tc  Tc19  1  0.51  0.2  0.2  1.0
  Tc  Tc20  1  0.08  0.08  0.08  1.0
  Tc  Tc21  1  0.16  0.16  0.08  1.0
  Tc  Tc22  1  0.16  0.08  0.16  1.0
  Tc  Tc23  1  0.08  0.16  0.16  1.0

data_Cd2Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   21.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2Tc
_chemical_formula_sum   'Cd48 Tc24'
_cell_volume   1455.43
_cell_formula_units_Z   24
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
  Cd  Cd0  9  0.08  0.04  0.36  1.0
  Cd  Cd1  9  0.11  0.55  0.32  1.0
  Cd  Cd2  9  0.11  0.55  0.2  1.0
  Cd  Cd3  9  0.22  0.44  0.43  1.0
  Cd  Cd4  9  0.22  0.44  0.54  1.0
  Cd  Cd5  3  0.0  0.0  0.44  1.0
  Tc  Tc6  9  0.06  0.03  0.87  1.0
  Tc  Tc7  9  0.11  0.21  0.7  1.0
  Tc  Tc8  3  0.0  0.0  0.49  1.0
  Tc  Tc9  3  0.0  0.0  0.92  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Tc Tc Tc Tc Tc Tc Tc Tc
Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Tc Tc Tc Tc Tc Tc Tc Tc 0 1 o o o 0 2 o o o 1 2 o o o 3 16 o o o 4 17 o o o 5 18 o o o 6 19 o o o 7 23 + o o 7 12 + o o 7 13 o o o 8 22 o + o 8 11 o + o 8 14 o o o 9 21 o o + 9 10 o o + 9 15 o o o 10 18 o o o 10 19 o o o 11 17 o o o 11 19 o o o 12 17 o o o 12 18 o o o 20 23 o o o 20 22 o o o 20 21 o o o 21 22 o o o 21 23 o o o 22 23 o o o 