data_RePb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   127.13
_cell_angle_beta   127.13
_cell_angle_gamma   78.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePb2Br
_chemical_formula_sum   'Re1 Pb2 Br1'
_cell_volume   102.07
_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  Re3  1  0.0  0.0  0.27  1.0
  Pb  Pb1  1  0.45  0.0  0.13  1.0
  Pb  Pb2  1  0.0  0.45  0.13  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_RePb2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   129.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RePb2Br
_chemical_formula_sum   'Re2 Pb4 Br2'
_cell_volume   204.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.23  0.5  0.73  1.0
  Pb  Pb1  4  0.09  0.22  0.31  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

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