data_TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.94
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd
_chemical_formula_sum   'Tc2 Pd2'
_cell_volume   59.5
_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  Tc2  1  0.0  0.0  0.63  1.0
  Tc  Tc3  1  0.35  0.97  0.94  1.0
  Pd  Pd0  1  0.0  0.0  0.49  1.0
  Pd  Pd1  1  0.35  0.97  0.08  1.0

data_TcPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   3.94
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcPd
_chemical_formula_sum   'Tc2 Pd2'
_cell_volume   59.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Tc0  2  0.18  0.49  0.66  1.0
  Pd  Pd1  2  0.18  0.49  0.79  1.0

Tc Tc Pd Pd
Tc Tc Pd Pd 0 2 o o o 1 3 o o + 