data_Mn2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.69
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   103.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AsPb
_chemical_formula_sum   'Mn2 As1 Pb1'
_cell_volume   77.45
_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  0.2  0.84  0.74  1.0
  Mn  Mn2  1  0.7  0.0  0.34  1.0
  As  As0  1  0.55  0.0  0.89  1.0
  Pb  Pb3  1  0.07  0.84  0.92  1.0

data_Mn2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.69
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   103.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AsPb
_chemical_formula_sum   'Mn2 As1 Pb1'
_cell_volume   77.45
_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  0.2  0.84  0.74  1.0
  Mn  Mn1  1  0.7  0.0  0.34  1.0
  As  As2  1  0.55  0.0  0.89  1.0
  Pb  Pb3  1  0.07  0.84  0.92  1.0

Mn Mn As Pb
Mn Mn As Pb 0 3 o o o 0 2 o + o 0 1 o + o 0 1 - + o 1 3 o - - 1 3 + - - 1 2 o o - 1 1 + o o 2 3 o - o 2 3 + - o 
Mn2PbAs crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to two equivalent Mn(2), one Pb(1), and one As(1) atom. There is one shorter (2.78 Å) and one longer (3.40 Å) Mn(1)-Mn(2) bond length. The Mn(1)-Pb(1) bond length is 1.36 Å. The Mn(1)-As(1) bond length is 1.46 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), two equivalent Pb(1), and one As(1) atom. There are two shorter (3.30 Å) and two longer (3.69 Å) Mn(2)-Mn(2) bond lengths. There is one shorter (3.13 Å) and one longer (3.32 Å) Mn(2)-Pb(1) bond length. The Mn(2)-As(1) bond length is 2.86 Å. Pb(1) is bonded in a 1-coordinate geometry to one Mn(1), two equivalent Mn(2), and two equivalent As(1) atoms. There is one shorter (1.73 Å) and one longer (1.78 Å) Pb(1)-As(1) bond length. As(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Pb(1) atoms.