data_TaBeCdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeCdBi
_chemical_formula_sum   'Ta1 Be1 Cd1 Bi1'
_cell_volume   82.54
_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
  Ta  Ta3  1  0.73  0.73  0.73  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.46  0.46  0.46  1.0
  Bi  Bi1  1  0.18  0.18  0.18  1.0

data_TaBeCdBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaBeCdBi
_chemical_formula_sum   'Ta3 Be3 Cd3 Bi3'
_cell_volume   247.61
_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
  Ta  Ta0  3  0.0  0.0  0.27  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.54  1.0
  Bi  Bi3  3  0.0  0.0  0.82  1.0

Ta Be Cd Bi
Ta Be Cd Bi 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 3 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
BeTaCdBi crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to four equivalent Ta(1) and one Bi(1) atom. There are three shorter (2.92 Å) and one longer (3.26 Å) Be(1)-Ta(1) bond length. The Be(1)-Bi(1) bond length is 2.20 Å. Ta(1) is bonded in a 11-coordinate geometry to four equivalent Be(1), four equivalent Cd(1), and three equivalent Bi(1) atoms. There are three shorter (2.92 Å) and one longer (3.26 Å) Ta(1)-Cd(1) bond length. All Ta(1)-Bi(1) bond lengths are 3.18 Å. Cd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(1) and four equivalent Bi(1) atoms. There are three shorter (2.92 Å) and one longer (3.26 Å) Cd(1)-Bi(1) bond length. Bi(1) is bonded in a distorted single-bond geometry to one Be(1), three equivalent Ta(1), and four equivalent Cd(1) atoms.