data_Mn2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.1
_cell_angle_alpha   103.74
_cell_angle_beta   103.74
_cell_angle_gamma   110.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BPb
_chemical_formula_sum   'Mn2 B1 Pb1'
_cell_volume   62.17
_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  0.75  0.99  0.41  1.0
  Mn  Mn2  1  0.75  0.01  0.41  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.78  0.0  0.0  1.0

data_Mn2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   110.11
_cell_angle_beta   103.74
_cell_angle_gamma   103.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BPb
_chemical_formula_sum   'Mn2 B1 Pb1'
_cell_volume   62.17
_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  0.41  0.75  0.01  1.0
  Mn  Mn1  1  0.41  0.75  0.99  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.78  0.0  1.0

Mn Mn B Pb
Mn Mn B Pb 0 1 o + o 0 3 o + o 1 3 o o o 2 3 - o o 
Mn2BPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mn2BPb cluster. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Mn(2) atom. The Mn(1)-Mn(2) bond length is 0.13 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) and one Pb(1) atom. The Mn(2)-Pb(1) bond length is 1.30 Å. B(1) is bonded in a distorted single-bond geometry to one Pb(1) atom. The B(1)-Pb(1) bond length is 1.08 Å. Pb(1) is bonded in a 2-coordinate geometry to one Mn(2) and one B(1) atom.