data_TcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   60.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2
_chemical_formula_sum   'Tc2 Pd4'
_cell_volume   89.84
_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  Tc4  1  0.14  0.28  0.12  1.0
  Tc  Tc5  1  0.14  0.72  0.36  1.0
  Pd  Pd0  1  0.77  0.8  0.12  1.0
  Pd  Pd1  1  0.51  0.2  0.36  1.0
  Pd  Pd2  1  0.51  0.8  0.12  1.0
  Pd  Pd3  1  0.77  0.2  0.36  1.0

data_TcPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.48
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   119.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcPd2
_chemical_formula_sum   'Tc2 Pd4'
_cell_volume   89.84
_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  0.38  0.0  0.28  1.0
  Pd  Pd1  2  0.38  0.37  0.8  1.0
  Pd  Pd2  2  0.38  0.63  0.8  1.0

Tc Tc Pd Pd Pd Pd
Tc Tc Pd Pd Pd Pd 0 5 - o o 0 2 - o o 0 3 o o o 0 4 o - o 0 1 o o o 1 2 - o o 1 5 - + o 1 3 o o o 1 4 o o o 2 4 o o o 3 5 o o o 