data_CrRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr1 Re2 Bi1'
_cell_volume   65.42
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.8  0.8  0.8  1.0
  Re  Re3  1  0.6  0.6  0.6  1.0
  Bi  Bi0  1  0.2  0.2  0.2  1.0

data_CrRe2Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr3 Re6 Bi3'
_cell_volume   196.26
_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  0.0  1.0
  Re  Re1  3  0.0  0.0  0.2  1.0
  Re  Re2  3  0.0  0.0  0.4  1.0
  Bi  Bi3  3  0.0  0.0  0.8  1.0

Cr Re Re Bi
CrRe2Bi crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 2-coordinate geometry to one Re(1), three equivalent Re(2), and one Bi(1) atom. The Cr(1)-Re(1) bond length is 2.25 Å. All Cr(1)-Re(2) bond lengths are 2.72 Å. The Cr(1)-Bi(1) bond length is 2.19 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to one Cr(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 2.19 Å. In the second Re site, Re(2) is bonded in a 7-coordinate geometry to three equivalent Cr(1), one Re(1), and three equivalent Bi(1) atoms. All Re(2)-Bi(1) bond lengths are 2.72 Å. Bi(1) is bonded in a distorted single-bond geometry to one Cr(1) and three equivalent Re(2) atoms.