data_MnPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbW2
_chemical_formula_sum   'Mn1 Pb1 W2'
_cell_volume   72.42
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.54  1.0
  W  W2  1  0.6  0.6  0.85  1.0
  W  W3  1  0.6  0.6  0.23  1.0

data_MnPbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnPbW2
_chemical_formula_sum   'Mn2 Pb2 W4'
_cell_volume   144.84
_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  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.54  1.0
  W  W2  2  0.1  0.5  0.23  1.0
  W  W3  2  0.1  0.5  0.85  1.0

Mn Pb W W
Mn Pb W W 0 2 - - - 0 2 - o - 0 2 o - - 0 3 - - o 0 3 o o o 0 3 o - o 0 3 - o o 0 1 o o - 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 2 3 o o + 3 3 + o o 3 3 o + o 
W2MnPb crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one Mn(1) and four equivalent Pb(1) atoms. The W(1)-Mn(1) bond length is 2.12 Å. There are a spread of W(1)-Pb(1) bond distances ranging from 2.83-3.47 Å. In the second W site, W(2) is bonded in a 1-coordinate geometry to one Mn(1) and four equivalent Pb(1) atoms. The W(2)-Mn(1) bond length is 2.45 Å. There are a spread of W(2)-Pb(1) bond distances ranging from 2.83-3.47 Å. Mn(1) is bonded in a 1-coordinate geometry to one W(1), one W(2), and one Pb(1) atom. The Mn(1)-Pb(1) bond length is 3.26 Å. Pb(1) is bonded in a 13-coordinate geometry to four equivalent W(1), four equivalent W(2), one Mn(1), and four equivalent Pb(1) atoms. All Pb(1)-Pb(1) bond lengths are 3.20 Å.