data_ReTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.09
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   93.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcBr2
_chemical_formula_sum   'Re1 Tc1 Br2'
_cell_volume   79.37
_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  Re2  1  0.95  0.54  0.67  1.0
  Tc  Tc3  1  0.62  0.0  0.28  1.0
  Br  Br0  1  0.9  0.54  0.28  1.0
  Br  Br1  1  0.83  0.0  0.65  1.0

data_ReTcBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.25
_cell_length_c   7.94
_cell_angle_alpha   93.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcBr2
_chemical_formula_sum   'Re1 Tc1 Br2'
_cell_volume   79.37
_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  0.38  0.72  1.0
  Re  Re1  1  0.46  0.05  0.33  1.0
  Br  Br2  1  0.0  0.17  0.35  1.0
  Br  Br3  1  0.46  0.1  0.72  1.0

Re Tc Br Br