data_MnPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPb2Br
_chemical_formula_sum   'Mn1 Pb2 Br1'
_cell_volume   113.71
_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
  Mn  Mn1  1  0.0  0.0  0.69  1.0
  Pb  Pb2  1  0.82  0.0  0.41  1.0
  Pb  Pb3  1  0.0  0.0  0.82  1.0
  Br  Br0  1  0.82  0.0  0.46  1.0

data_MnPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPb2Br
_chemical_formula_sum   'Mn1 Pb2 Br1'
_cell_volume   113.71
_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
  Mn  Mn0  1  0.0  0.0  0.69  1.0
  Pb  Pb1  1  0.0  0.0  0.82  1.0
  Pb  Pb2  1  0.82  0.0  0.41  1.0
  Br  Br3  1  0.82  0.0  0.46  1.0

Mn Pb Pb Br
MnPb2Br crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnPb2Br cluster. Mn(1) is bonded in a distorted linear geometry to one Pb(2) and one Br(1) atom. The Mn(1)-Pb(2) bond length is 1.40 Å. The Mn(1)-Br(1) bond length is 2.39 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Br(1) atom. The Pb(1)-Br(1) bond length is 0.58 Å. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Mn(1) atom. Br(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Pb(1) atom.