data_CrSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiBi2
_chemical_formula_sum   'Cr1 Si1 Bi2'
_cell_volume   97.99
_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  Cr2  1  0.83  0.83  0.83  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.49  0.49  0.49  1.0
  Bi  Bi1  1  0.66  0.66  0.66  1.0

data_CrSiBi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrSiBi2
_chemical_formula_sum   'Cr3 Si3 Bi6'
_cell_volume   293.98
_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  0.17  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.34  1.0
  Bi  Bi3  3  0.0  0.0  0.51  1.0

Cr Si Bi Bi
CrSiBi2 crystallizes in the trigonal R3m space group. Cr(1) is bonded to one Si(1), one Bi(2), and three equivalent Bi(1) atoms to form distorted CrSiBi4 trigonal bipyramids that share corners with six equivalent Cr(1)SiBi4 trigonal bipyramids,  a cornercorner with one Bi(1)Cr3Bi trigonal pyramid, and corners with three equivalent Si(1)CrBi3 trigonal pyramids. The Cr(1)-Si(1) bond length is 2.16 Å. The Cr(1)-Bi(2) bond length is 2.16 Å. All Cr(1)-Bi(1) bond lengths are 2.99 Å. Si(1) is bonded to one Cr(1) and three equivalent Bi(2) atoms to form distorted SiCrBi3 trigonal pyramids that share corners with three equivalent Cr(1)SiBi4 trigonal bipyramids, corners with six equivalent Si(1)CrBi3 trigonal pyramids, and edges with three equivalent Bi(1)Cr3Bi trigonal pyramids. All Si(1)-Bi(2) bond lengths are 2.99 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent Cr(1) and one Bi(2) atom to form BiCr3Bi trigonal pyramids that share  a cornercorner with one Cr(1)SiBi4 trigonal bipyramid, corners with six equivalent Bi(1)Cr3Bi trigonal pyramids, and edges with three equivalent Si(1)CrBi3 trigonal pyramids. The Bi(1)-Bi(2) bond length is 2.16 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Cr(1), three equivalent Si(1), and one Bi(1) atom.