data_CuPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPb2W
_chemical_formula_sum   'Cu1 Pb2 W1'
_cell_volume   84.25
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.85  0.0  0.21  1.0
  Pb  Pb2  1  0.85  0.0  0.86  1.0
  W  W3  1  0.0  0.0  0.53  1.0

data_CuPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPb2W
_chemical_formula_sum   'Cu1 Pb2 W1'
_cell_volume   84.25
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.85  0.0  0.21  1.0
  Pb  Pb2  1  0.85  0.0  0.86  1.0
  W  W3  1  0.0  0.0  0.53  1.0

Cu Pb Pb W
Cu Pb Pb W 0 2 - o - 0 1 - o o 1 3 + o o 2 3 + o o 3 3 o + o 3 3 + o o 
WCuPb2 crystallizes in the triclinic P1 space group. W(1) is bonded in a 6-coordinate geometry to four equivalent W(1), one Pb(1), and one Pb(2) atom. All W(1)-W(1) bond lengths are 3.12 Å. The W(1)-Pb(1) bond length is 3.00 Å. The W(1)-Pb(2) bond length is 3.00 Å. Cu(1) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one Pb(2) atom. The Cu(1)-Pb(1) bond length is 1.92 Å. The Cu(1)-Pb(2) bond length is 1.37 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom.