data_Re2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   131.09
_cell_angle_beta   131.09
_cell_angle_gamma   71.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcPd
_chemical_formula_sum   'Re2 Tc1 Pd1'
_cell_volume   59.48
_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
  Re  Re1  1  0.0  0.0  0.85  1.0
  Re  Re2  1  0.97  0.0  0.92  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.97  0.92  1.0

data_Re2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.75
_cell_angle_alpha   114.46
_cell_angle_beta   114.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcPd
_chemical_formula_sum   'Re2 Tc1 Pd1'
_cell_volume   59.48
_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  Tc0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.85  0.85  0.85  1.0
  Re  Re2  1  0.92  0.96  0.96  1.0
  Pd  Pd3  1  0.96  0.92  0.96  1.0

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