data_CrCdInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdInBi
_chemical_formula_sum   'Cr1 Cd1 In1 Bi1'
_cell_volume   99.48
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.84  0.84  0.84  1.0
  In  In3  1  0.68  0.68  0.68  1.0
  Bi  Bi0  1  0.52  0.52  0.52  1.0

data_CrCdInBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrCdInBi
_chemical_formula_sum   'Cr3 Cd3 In3 Bi3'
_cell_volume   298.45
_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
  Cd  Cd1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.32  1.0
  Bi  Bi3  3  0.0  0.0  0.48  1.0

Cr Cd In Bi
Cr Cd In Bi 0 1 - - - 1 2 o o o 2 3 o o o 
CrCdInBi crystallizes in the trigonal R3m space group. Cr(1) is bonded to one Cd(1) and three equivalent In(1) atoms to form CrCdIn3 trigonal pyramids that share corners with three equivalent Cd(1)CrInBi3 trigonal bipyramids, corners with six equivalent Cr(1)CdIn3 trigonal pyramids, and edges with three equivalent Bi(1)Cd3In trigonal pyramids. The Cr(1)-Cd(1) bond length is 2.05 Å. All Cr(1)-In(1) bond lengths are 3.01 Å. Cd(1) is bonded to one Cr(1), one In(1), and three equivalent Bi(1) atoms to form CdCrInBi3 trigonal bipyramids that share corners with six equivalent Cd(1)CrInBi3 trigonal bipyramids,  a cornercorner with one Bi(1)Cd3In trigonal pyramid, and corners with three equivalent Cr(1)CdIn3 trigonal pyramids. The Cd(1)-In(1) bond length is 2.05 Å. All Cd(1)-Bi(1) bond lengths are 3.01 Å. In(1) is bonded in a distorted linear geometry to three equivalent Cr(1), one Cd(1), and one Bi(1) atom. The In(1)-Bi(1) bond length is 2.05 Å. Bi(1) is bonded to three equivalent Cd(1) and one In(1) atom to form distorted BiCd3In trigonal pyramids that share  a cornercorner with one Cd(1)CrInBi3 trigonal bipyramid, corners with six equivalent Bi(1)Cd3In trigonal pyramids, and edges with three equivalent Cr(1)CdIn3 trigonal pyramids.