data_ZrSiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiBi
_chemical_formula_sum   'Zr1 Si1 Bi1'
_cell_volume   68.24
_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  Zr2  1  0.0  0.94  0.5  1.0
  Si  Si1  1  0.0  0.0  0.5  1.0
  Bi  Bi0  1  0.68  0.97  0.02  1.0

data_ZrSiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiBi
_chemical_formula_sum   'Zr1 Si1 Bi1'
_cell_volume   68.24
_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  Zr0  1  0.0  0.94  0.5  1.0
  Si  Si1  1  0.0  0.0  0.5  1.0
  Bi  Bi2  1  0.68  0.97  0.02  1.0

Zr Si Bi
ZrSiBi crystallizes in the triclinic P1 space group. Zr(1) is bonded in a single-bond geometry to one Si(1) and two equivalent Bi(1) atoms. The Zr(1)-Si(1) bond length is 0.22 Å. There is one shorter (3.56 Å) and one longer (3.81 Å) Zr(1)-Bi(1) bond length. Si(1) is bonded in a single-bond geometry to one Zr(1) atom. Bi(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1) and six equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.35 Å.