data_HfAgSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgSnBi
_chemical_formula_sum   'Hf1 Ag1 Sn1 Bi1'
_cell_volume   97.17
_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  0.82  0.82  0.82  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.65  0.65  0.65  1.0
  Bi  Bi1  1  0.47  0.47  0.47  1.0

data_HfAgSnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAgSnBi
_chemical_formula_sum   'Hf3 Ag3 Sn3 Bi3'
_cell_volume   291.51
_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  0.18  1.0
  Ag  Ag1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.35  1.0
  Bi  Bi3  3  0.0  0.0  0.53  1.0

Hf Ag Sn Bi
Hf Ag Sn Bi 0 2 o o o 0 1 + + + 2 3 o o o 
HfAgSnBi crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 5-coordinate geometry to one Ag(1), one Sn(1), and three equivalent Bi(1) atoms. The Hf(1)-Ag(1) bond length is 2.22 Å. The Hf(1)-Sn(1) bond length is 2.22 Å. All Hf(1)-Bi(1) bond lengths are 2.99 Å. Ag(1) is bonded in a single-bond geometry to one Hf(1) atom. Sn(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 2.22 Å. Bi(1) is bonded to three equivalent Hf(1) and one Sn(1) atom to form distorted corner-sharing BiHf3Sn trigonal pyramids.