data_ReTc2Pd
_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   131.34
_cell_angle_beta   131.34
_cell_angle_gamma   71.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Pd
_chemical_formula_sum   'Re1 Tc2 Pd1'
_cell_volume   58.99
_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  0.96  0.93  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.96  0.0  0.93  1.0
  Pd  Pd0  1  0.0  0.0  0.86  1.0

data_ReTc2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   4.75
_cell_angle_alpha   114.33
_cell_angle_beta   114.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Pd
_chemical_formula_sum   'Re1 Tc2 Pd1'
_cell_volume   58.99
_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
  Tc  Tc1  1  0.93  0.97  0.97  1.0
  Re  Re2  1  0.97  0.93  0.97  1.0
  Pd  Pd3  1  0.86  0.86  0.86  1.0

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