data_Cr2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiBi
_chemical_formula_sum   'Cr2 Si1 Bi1'
_cell_volume   67.96
_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  0.5  0.18  0.55  1.0
  Cr  Cr2  1  0.5  0.82  0.55  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.01  0.0  0.0  1.0

data_Cr2SiBi
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.72
_cell_length_b   3.1
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Cr2SiBi
_chemical_formula_sum   'Cr2 Si1 Bi1'
_cell_volume   67.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.45  0.82  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.0  1.0

Cr Cr Si Bi
Cr Cr Si Bi 0 1 o - o 2 3 o o o 
Cr2SiBi crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), two equivalent Si(1), and two equivalent Bi(1) atoms. Both Cr(1)-Cr(1) bond lengths are 3.10 Å. There is one shorter (1.71 Å) and one longer (3.01 Å) Cr(1)-Cr(2) bond length. There is one shorter (2.98 Å) and one longer (3.15 Å) Cr(1)-Si(1) bond length. There is one shorter (2.72 Å) and one longer (2.90 Å) Cr(1)-Bi(1) bond length. In the second Cr site, Cr(2) is bonded in a 1-coordinate geometry to two equivalent Cr(1) atoms. Si(1) is bonded in a single-bond geometry to two equivalent Cr(1) and one Bi(1) atom. The Si(1)-Bi(1) bond length is 0.04 Å. Bi(1) is bonded in a single-bond geometry to two equivalent Cr(1) and one Si(1) atom.