data_Mn2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PbW
_chemical_formula_sum   'Mn2 Pb1 W1'
_cell_volume   65.44
_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  0.55  0.55  0.22  1.0
  Mn  Mn1  1  0.0  0.0  0.11  1.0
  Pb  Pb2  1  0.55  0.55  0.3  1.0
  W  W3  1  0.0  0.0  0.6  1.0

data_Mn2PbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2PbW
_chemical_formula_sum   'Mn4 Pb2 W2'
_cell_volume   130.88
_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
  Mn  Mn0  2  0.0  0.0  0.11  1.0
  Mn  Mn1  2  0.05  0.5  0.22  1.0
  Pb  Pb2  2  0.05  0.5  0.3  1.0
  W  W3  2  0.0  0.0  0.6  1.0

Mn Mn Pb W
WMn2Pb crystallizes in the monoclinic Cm space group. W(1) is bonded in a 10-coordinate geometry to four equivalent W(1), two equivalent Mn(2), and four equivalent Pb(1) atoms. All W(1)-W(1) bond lengths are 3.10 Å. There is one shorter (3.33 Å) and one longer (3.49 Å) W(1)-Mn(2) bond length. There are a spread of W(1)-Pb(1) bond distances ranging from 2.82-3.13 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to four equivalent Mn(2) and one Pb(1) atom. There are a spread of Mn(1)-Mn(2) bond distances ranging from 2.12-2.53 Å. The Mn(1)-Pb(1) bond length is 0.54 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent W(1) and four equivalent Mn(1) atoms. Pb(1) is bonded in a single-bond geometry to four equivalent W(1) and one Mn(1) atom.