data_Re2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.83
_cell_angle_alpha   103.45
_cell_angle_beta   103.45
_cell_angle_gamma   37.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PbBr
_chemical_formula_sum   'Re2 Pb1 Br1'
_cell_volume   77.12
_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  0.5  0.0  0.07  1.0
  Re  Re3  1  0.04  0.0  0.58  1.0
  Pb  Pb1  1  0.77  0.0  0.83  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Re2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.74
_cell_length_c   5.83
_cell_angle_alpha   103.45
_cell_angle_beta   90.0
_cell_angle_gamma   108.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PbBr
_chemical_formula_sum   'Re2 Pb1 Br1'
_cell_volume   77.12
_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  Re0  1  0.0  0.5  0.93  1.0
  Re  Re1  1  0.0  0.96  0.42  1.0
  Pb  Pb2  1  0.0  0.23  0.17  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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