data_TcPd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   8.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd13
_chemical_formula_sum   'Tc2 Pd26'
_cell_volume   488.2
_cell_formula_units_Z   2
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
  Tc  Tc26  1  0.37  0.37  0.37  1.0
  Tc  Tc27  1  0.12  0.12  0.12  1.0
  Pd  Pd0  1  0.76  0.51  0.25  1.0
  Pd  Pd1  1  0.74  0.51  0.25  1.0
  Pd  Pd2  1  0.76  0.99  0.25  1.0
  Pd  Pd3  1  0.74  0.99  0.25  1.0
  Pd  Pd4  1  0.25  0.74  0.99  1.0
  Pd  Pd5  1  0.25  0.76  0.99  1.0
  Pd  Pd6  1  0.25  0.74  0.51  1.0
  Pd  Pd7  1  0.25  0.76  0.51  1.0
  Pd  Pd8  1  0.99  0.25  0.76  1.0
  Pd  Pd9  1  0.99  0.25  0.74  1.0
  Pd  Pd10  1  0.51  0.25  0.76  1.0
  Pd  Pd11  1  0.51  0.25  0.74  1.0
  Pd  Pd12  1  0.25  0.24  0.76  1.0
  Pd  Pd13  1  0.25  0.24  0.74  1.0
  Pd  Pd14  1  0.25  0.26  0.76  1.0
  Pd  Pd15  1  0.25  0.26  0.74  1.0
  Pd  Pd16  1  0.24  0.76  0.25  1.0
  Pd  Pd17  1  0.24  0.74  0.25  1.0
  Pd  Pd18  1  0.26  0.76  0.25  1.0
  Pd  Pd19  1  0.26  0.74  0.25  1.0
  Pd  Pd20  1  0.76  0.25  0.24  1.0
  Pd  Pd21  1  0.74  0.25  0.24  1.0
  Pd  Pd22  1  0.76  0.25  0.26  1.0
  Pd  Pd23  1  0.74  0.25  0.26  1.0
  Pd  Pd24  1  0.25  0.25  0.25  1.0
  Pd  Pd25  1  0.0  0.0  0.0  1.0

data_TcPd13
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   21.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   TcPd13
_chemical_formula_sum   'Tc6 Pd78'
_cell_volume   1464.6
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Tc  Tc0  3  0.0  0.0  0.63  1.0
  Tc  Tc1  3  0.0  0.0  0.88  1.0
  Pd  Pd2  9  0.0  0.26  0.01  1.0
  Pd  Pd3  9  0.0  0.51  0.26  1.0
  Pd  Pd4  9  0.01  0.25  0.0  1.0
  Pd  Pd5  9  0.01  0.5  0.25  1.0
  Pd  Pd6  9  0.08  0.67  0.16  1.0
  Pd  Pd7  9  0.1  0.68  0.17  1.0
  Pd  Pd8  9  0.16  0.34  0.57  1.0
  Pd  Pd9  9  0.17  0.82  0.58  1.0
  Pd  Pd10  3  0.0  0.0  -0.0  1.0
  Pd  Pd11  3  0.0  0.0  0.75  1.0

Tc Tc Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Tc Tc Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 26 o o o 0 17 o o o 0 16 o o o 0 15 o o o 0 14 o o o 0 19 o o o 0 18 o o o 0 23 o o o 0 22 o o o 0 25 o o o 0 24 o o o 0 21 o o o 0 20 o o o 1 27 o o o 1 19 o - o 1 18 o - o 1 23 - o o 1 22 - o o 1 25 - o o 1 24 - o o 1 21 o - o 1 20 o - o 1 17 o o - 1 16 o o - 1 15 o o - 1 14 o o - 1 26 o o o 2 3 o o o 4 5 o o o 4 27 + + o 5 27 + + o 6 7 o o o 6 27 o + + 7 27 o + + 8 9 o o o 10 11 o o o 10 27 + o + 11 27 + o + 12 13 o o o 14 17 o o o 14 15 o o o 14 16 o o o 15 17 o o o 16 17 o o o 18 19 o o o 18 21 o o o 18 20 o o o 19 21 o o o 20 21 o o o 22 23 o o o 22 25 o o o 22 24 o o o 23 25 o o o 24 25 o o o 