data_YZnPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnPbW
_chemical_formula_sum   'Y1 Zn1 Pb1 W1'
_cell_volume   83.52
_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
  Y  Y2  1  0.73  0.73  0.73  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.47  0.47  0.47  1.0
  W  W1  1  0.2  0.2  0.2  1.0

data_YZnPbW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZnPbW
_chemical_formula_sum   'Y3 Zn3 Pb3 W3'
_cell_volume   250.56
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Y  Y0  3  0.0  0.0  0.27  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.53  1.0
  W  W3  3  0.0  0.0  0.8  1.0

Y Zn Pb W
Y Zn Pb W 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
YWZnPb crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to three equivalent W(1), four equivalent Zn(1), and four equivalent Pb(1) atoms. All Y(1)-W(1) bond lengths are 3.27 Å. There are three shorter (2.95 Å) and one longer (3.19 Å) Y(1)-Zn(1) bond length. There are three shorter (2.95 Å) and one longer (3.19 Å) Y(1)-Pb(1) bond length. W(1) is bonded in a distorted single-bond geometry to three equivalent Y(1), one Zn(1), and four equivalent Pb(1) atoms. The W(1)-Zn(1) bond length is 2.45 Å. There are three shorter (2.95 Å) and one longer (3.19 Å) W(1)-Pb(1) bond length. Zn(1) is bonded in a 1-coordinate geometry to four equivalent Y(1), one W(1), and three equivalent Pb(1) atoms. All Zn(1)-Pb(1) bond lengths are 3.27 Å. Pb(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent W(1), and three equivalent Zn(1) atoms.