data_AlCr4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr4Pb
_chemical_formula_sum   'Al1 Cr4 Pb1'
_cell_volume   86.02
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.62  0.39  0.62  1.0
  Cr  Cr2  1  0.39  0.62  0.62  1.0
  Cr  Cr3  1  0.39  0.39  0.39  1.0
  Cr  Cr4  1  0.62  0.62  0.39  1.0
  Pb  Pb5  1  0.75  0.75  0.75  1.0

data_AlCr4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlCr4Pb
_chemical_formula_sum   'Al3 Cr12 Pb3'
_cell_volume   258.06
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  9  0.16  0.08  0.46  1.0
  Cr  Cr2  3  0.0  0.0  0.61  1.0
  Pb  Pb3  3  0.0  0.0  0.25  1.0

Al Cr Cr Cr Cr Pb
Cr4AlPb crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one Cr(2), two equivalent Cr(1), one Al(1), and two equivalent Pb(1) atoms. The Cr(1)-Cr(2) bond length is 2.02 Å. Both Cr(1)-Cr(1) bond lengths are 1.17 Å. The Cr(1)-Al(1) bond length is 2.65 Å. There is one shorter (2.62 Å) and one longer (2.66 Å) Cr(1)-Pb(1) bond length. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Al(1), and three equivalent Pb(1) atoms. All Cr(2)-Al(1) bond lengths are 2.93 Å. All Cr(2)-Pb(1) bond lengths are 2.89 Å. Al(1) is bonded in a 10-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and four equivalent Pb(1) atoms. There is one shorter (3.01 Å) and three longer (3.04 Å) Al(1)-Pb(1) bond lengths. Pb(1) is bonded in a 13-coordinate geometry to three equivalent Cr(2), six equivalent Cr(1), and four equivalent Al(1) atoms.