data_Cr4AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4AsPb
_chemical_formula_sum   'Cr4 As1 Pb1'
_cell_volume   88.54
_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
  Cr  Cr1  1  0.42  0.42  0.65  1.0
  Cr  Cr2  1  0.42  0.65  0.42  1.0
  Cr  Cr3  1  0.65  0.42  0.42  1.0
  Cr  Cr4  1  0.65  0.65  0.65  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.31  0.31  0.31  1.0

data_Cr4AsPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr4AsPb
_chemical_formula_sum   'Cr12 As3 Pb3'
_cell_volume   265.62
_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
  Cr  Cr0  9  0.08  0.15  0.5  1.0
  Cr  Cr1  3  0.0  0.0  0.35  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.69  1.0

Cr Cr Cr Cr As Pb
Cr Cr Cr Cr As Pb 0 2 o o o 0 1 o o o 0 3 o o o 0 4 + o + 0 4 o + + 0 4 o o + 0 5 o o + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 + + o 1 4 o + + 1 4 o + o 1 5 o + o 1 5 o o o 2 3 o o o 2 4 + + o 2 4 + o + 2 4 + o o 2 5 + o o 2 5 o o o 3 4 + + o 3 4 + o + 3 4 o + + 3 5 + o o 3 5 o + o 3 5 o o + 4 5 - o o 4 5 o - o 4 5 o o - 
Cr4PbAs crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Cr(2), two equivalent Cr(1), two equivalent Pb(1), and one As(1) atom. The Cr(1)-Cr(2) bond length is 1.99 Å. Both Cr(1)-Cr(1) bond lengths are 1.15 Å. There is one shorter (2.46 Å) and one longer (2.81 Å) Cr(1)-Pb(1) bond length. The Cr(1)-As(1) bond length is 3.02 Å. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Pb(1), and three equivalent As(1) atoms. All Cr(2)-Pb(1) bond lengths are 2.89 Å. All Cr(2)-As(1) bond lengths are 2.89 Å. Pb(1) is bonded to three equivalent Cr(2), six equivalent Cr(1), and three equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing PbCr9As3 cuboctahedra. All Pb(1)-As(1) bond lengths are 2.91 Å. As(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and three equivalent Pb(1) atoms.