data_ZrAlInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlInBi
_chemical_formula_sum   'Zr1 Al1 In1 Bi1'
_cell_volume   98.13
_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  0.49  0.49  0.49  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.83  0.83  0.83  1.0
  Bi  Bi1  1  0.66  0.66  0.66  1.0

data_ZrAlInBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrAlInBi
_chemical_formula_sum   'Zr3 Al3 In3 Bi3'
_cell_volume   294.38
_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  0.51  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.17  1.0
  Bi  Bi3  3  0.0  0.0  0.34  1.0

Zr Al In Bi
ZrInAlBi crystallizes in the trigonal R3m space group. Zr(1) is bonded in a distorted single-bond geometry to three equivalent In(1) and one Bi(1) atom. All Zr(1)-In(1) bond lengths are 2.99 Å. The Zr(1)-Bi(1) bond length is 2.15 Å. In(1) is bonded to three equivalent Zr(1), one Al(1), and one Bi(1) atom to form InZr3AlBi trigonal bipyramids that share corners with six equivalent In(1)Zr3AlBi trigonal bipyramids and corners with three equivalent Al(1)InBi3 trigonal pyramids. The In(1)-Al(1) bond length is 2.15 Å. The In(1)-Bi(1) bond length is 2.15 Å. Al(1) is bonded to one In(1) and three equivalent Bi(1) atoms to form distorted AlInBi3 trigonal pyramids that share corners with three equivalent In(1)Zr3AlBi trigonal bipyramids and corners with six equivalent Al(1)InBi3 trigonal pyramids. All Al(1)-Bi(1) bond lengths are 2.99 Å. Bi(1) is bonded in a distorted linear geometry to one Zr(1), one In(1), and three equivalent Al(1) atoms.