data_TcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2
_chemical_formula_sum   'Tc2 Pd4'
_cell_volume   89.76
_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  0.39  0.21  0.35  1.0
  Tc  Tc5  1  0.39  0.79  0.12  1.0
  Pd  Pd0  1  0.39  0.35  0.35  1.0
  Pd  Pd1  1  0.39  0.65  0.12  1.0
  Pd  Pd2  1  0.39  0.39  0.12  1.0
  Pd  Pd3  1  0.39  0.61  0.35  1.0

data_TcPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.77
_cell_length_b   4.47
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcPd2
_chemical_formula_sum   'Tc2 Pd4'
_cell_volume   89.76
_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  0.21  0.38  0.71  1.0
  Pd  Pd1  2  0.35  0.38  0.85  1.0
  Pd  Pd2  2  0.39  0.62  0.89  1.0

Tc Tc Pd Pd Pd Pd