data_SrHf2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   133.31
_cell_angle_beta   133.31
_cell_angle_gamma   68.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Bi
_chemical_formula_sum   'Sr1 Hf2 Bi1'
_cell_volume   107.17
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.89  1.0
  Hf  Hf2  1  0.0  0.34  0.45  1.0
  Bi  Bi0  1  0.34  0.0  0.45  1.0

data_SrHf2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   113.34
_cell_angle_beta   113.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Bi
_chemical_formula_sum   'Sr1 Hf2 Bi1'
_cell_volume   107.17
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.11  0.45  0.11  1.0
  Hf  Hf2  1  0.89  0.89  0.89  1.0
  Bi  Bi3  1  0.45  0.11  0.11  1.0

Sr Hf Hf Bi
SrHf2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrHf2Bi cluster. Sr(1) is bonded in a distorted single-bond geometry to one Hf(1), one Hf(2), and one Bi(1) atom. The Sr(1)-Hf(1) bond length is 0.64 Å. The Sr(1)-Hf(2) bond length is 1.93 Å. The Sr(1)-Bi(1) bond length is 1.93 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Bi(1) atom. The Hf(2)-Bi(1) bond length is 2.25 Å. Bi(1) is bonded in a 1-coordinate geometry to one Sr(1) and one Hf(2) atom.