data_ZrTiCdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiCdBi
_chemical_formula_sum   'Zr1 Ti1 Cd1 Bi1'
_cell_volume   94.62
_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
  Zr  Zr3  1  0.81  0.81  0.81  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.43  0.43  0.43  1.0
  Bi  Bi0  1  0.62  0.62  0.62  1.0

data_ZrTiCdBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTiCdBi
_chemical_formula_sum   'Zr3 Ti3 Cd3 Bi3'
_cell_volume   283.86
_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
  Zr  Zr0  3  0.0  0.0  0.19  1.0
  Ti  Ti1  3  0.0  0.0  -0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.57  1.0
  Bi  Bi3  3  0.0  0.0  0.38  1.0

Zr Ti Cd Bi
Zr Ti Cd Bi 0 3 o o o 0 1 + + + 0 2 + o o 0 2 o + o 0 2 o o + 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o o o 
ZrTiCdBi crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 2-coordinate geometry to four equivalent Ti(1) and one Bi(1) atom. There is one shorter (2.40 Å) and three longer (3.45 Å) Zr(1)-Ti(1) bond lengths. The Zr(1)-Bi(1) bond length is 2.40 Å. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), three equivalent Cd(1), and three equivalent Bi(1) atoms. All Ti(1)-Cd(1) bond lengths are 3.17 Å. All Ti(1)-Bi(1) bond lengths are 3.02 Å. Cd(1) is bonded in a 1-coordinate geometry to three equivalent Ti(1) and one Bi(1) atom. The Cd(1)-Bi(1) bond length is 2.40 Å. Bi(1) is bonded in a 2-coordinate geometry to one Zr(1), three equivalent Ti(1), and one Cd(1) atom.