data_Re2TcPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcPb
_chemical_formula_sum   'Re2 Tc1 Pb1'
_cell_volume   67.78
_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  0.33  0.87  0.49  1.0
  Re  Re2  1  0.33  0.13  0.49  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.67  0.0  0.0  1.0

data_Re2TcPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.03
_cell_length_b   2.98
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   115.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Re2TcPb
_chemical_formula_sum   'Re2 Tc1 Pb1'
_cell_volume   67.78
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.33  0.5  0.87  1.0
  Re  Re2  1  0.33  0.5  0.13  1.0
  Pb  Pb3  1  0.67  0.0  0.0  1.0

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