data_SrHfNbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfNbBi
_chemical_formula_sum   'Sr1 Hf1 Nb1 Bi1'
_cell_volume   99.37
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.84  0.84  0.84  1.0
  Nb  Nb2  1  0.51  0.51  0.51  1.0
  Bi  Bi0  1  0.68  0.68  0.68  1.0

data_SrHfNbBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrHfNbBi
_chemical_formula_sum   'Sr3 Hf3 Nb3 Bi3'
_cell_volume   298.12
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.16  1.0
  Nb  Nb2  3  0.0  0.0  0.49  1.0
  Bi  Bi3  3  0.0  0.0  0.32  1.0

Sr Hf Nb Bi
SrHfNbBi crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Hf(1) and three equivalent Bi(1) atoms to form distorted SrHfBi3 trigonal pyramids that share  a cornercorner with one Bi(1)Sr3HfNb trigonal bipyramid and corners with six equivalent Sr(1)HfBi3 trigonal pyramids. The Sr(1)-Hf(1) bond length is 2.06 Å. All Sr(1)-Bi(1) bond lengths are 3.00 Å. Hf(1) is bonded in a distorted linear geometry to one Sr(1) and one Bi(1) atom. The Hf(1)-Bi(1) bond length is 2.06 Å. Nb(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Nb(1)-Bi(1) bond length is 2.06 Å. Bi(1) is bonded to three equivalent Sr(1), one Hf(1), and one Nb(1) atom to form distorted BiSr3HfNb trigonal bipyramids that share corners with six equivalent Bi(1)Sr3HfNb trigonal bipyramids and  a cornercorner with one Sr(1)HfBi3 trigonal pyramid.