data_TcPd8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   95.74
_cell_angle_beta   95.74
_cell_angle_gamma   143.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd8
_chemical_formula_sum   'Tc1 Pd8'
_cell_volume   137.35
_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
  Tc  Tc8  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.6  0.0  1.0
  Pd  Pd1  1  0.0  0.75  0.0  1.0
  Pd  Pd2  1  0.75  0.0  0.0  1.0
  Pd  Pd3  1  0.64  0.36  0.97  1.0
  Pd  Pd4  1  0.81  0.81  0.0  1.0
  Pd  Pd5  1  0.6  0.0  0.0  1.0
  Pd  Pd6  1  0.36  0.36  0.97  1.0
  Pd  Pd7  1  0.36  0.64  0.97  1.0

data_TcPd8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   11.81
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPd8
_chemical_formula_sum   'Tc2 Pd16'
_cell_volume   274.69
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  4  0.12  0.12  0.0  1.0
  Pd  Pd2  4  0.2  0.2  0.0  1.0
  Pd  Pd3  4  0.47  0.14  0.97  1.0
  Pd  Pd4  2  0.11  0.5  0.97  1.0
  Pd  Pd5  2  0.19  0.0  0.0  1.0

Tc Pd Pd Pd Pd Pd Pd Pd Pd