data_CrSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiPb2
_chemical_formula_sum   'Cr1 Si1 Pb2'
_cell_volume   95.45
_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  Cr0  1  0.44  0.44  0.44  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.81  0.81  0.81  1.0
  Pb  Pb2  1  0.63  0.63  0.63  1.0

data_CrSiPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrSiPb2
_chemical_formula_sum   'Cr3 Si3 Pb6'
_cell_volume   286.36
_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  3  0.0  0.0  0.56  1.0
  Si  Si1  3  0.0  0.0  -0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.19  1.0
  Pb  Pb3  3  0.0  0.0  0.37  1.0

Cr Si Pb Pb
CrPb2Si crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 4-coordinate geometry to one Pb(2) and three equivalent Pb(1) atoms. The Cr(1)-Pb(2) bond length is 2.34 Å. All Cr(1)-Pb(1) bond lengths are 3.00 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to three equivalent Cr(1), one Pb(2), and one Si(1) atom to form distorted corner-sharing PbCr3SiPb trigonal bipyramids. The Pb(1)-Pb(2) bond length is 2.34 Å. The Pb(1)-Si(1) bond length is 2.34 Å. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one Cr(1), one Pb(1), and three equivalent Si(1) atoms. All Pb(2)-Si(1) bond lengths are 3.00 Å. Si(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Pb(2) atoms.