data_HfZrCrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrCrBi
_chemical_formula_sum   'Hf1 Zr1 Cr1 Bi1'
_cell_volume   79.61
_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
  Hf  Hf2  1  0.41  0.41  0.41  1.0
  Zr  Zr3  1  0.12  0.12  0.12  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.71  0.71  0.71  1.0

data_HfZrCrBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfZrCrBi
_chemical_formula_sum   'Hf3 Zr3 Cr3 Bi3'
_cell_volume   238.83
_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
  Hf  Hf0  3  0.0  0.0  0.59  1.0
  Zr  Zr1  3  0.0  0.0  0.88  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.29  1.0

Hf Zr Cr Bi
HfZrCrBi crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), three equivalent Cr(1), and four equivalent Bi(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Hf(1)-Zr(1) bond length. All Hf(1)-Cr(1) bond lengths are 2.95 Å. There are three shorter (2.83 Å) and one longer (3.46 Å) Hf(1)-Bi(1) bond length. Zr(1) is bonded in a single-bond geometry to four equivalent Hf(1), one Cr(1), and three equivalent Bi(1) atoms. The Zr(1)-Cr(1) bond length is 1.44 Å. All Zr(1)-Bi(1) bond lengths are 2.95 Å. Cr(1) is bonded in a single-bond geometry to three equivalent Hf(1), one Zr(1), and four equivalent Bi(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Cr(1)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), three equivalent Zr(1), and four equivalent Cr(1) atoms.