data_BeSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnBi2
_chemical_formula_sum   'Be1 Sn1 Bi2'
_cell_volume   100.85
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.36  1.0
  Bi  Bi1  1  0.7  0.7  0.71  1.0
  Bi  Bi2  1  0.7  0.7  0.02  1.0

data_BeSnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSnBi2
_chemical_formula_sum   'Be2 Sn2 Bi4'
_cell_volume   201.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.36  1.0
  Bi  Bi2  2  0.2  0.5  0.02  1.0
  Bi  Bi3  2  0.2  0.5  0.71  1.0

Be Sn Bi Bi
BeSnBi2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one Sn(1), one Bi(1), and one Bi(2) atom. The Be(1)-Sn(1) bond length is 3.16 Å. The Be(1)-Bi(1) bond length is 2.93 Å. The Be(1)-Bi(2) bond length is 1.45 Å. Sn(1) is bonded in a 7-coordinate geometry to one Be(1), four equivalent Sn(1), one Bi(1), and one Bi(2) atom. All Sn(1)-Sn(1) bond lengths are 3.40 Å. The Sn(1)-Bi(1) bond length is 3.35 Å. The Sn(1)-Bi(2) bond length is 3.35 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one Be(1), one Sn(1), one Bi(2), and four equivalent Bi(1) atoms. The Bi(1)-Bi(2) bond length is 2.68 Å. All Bi(1)-Bi(1) bond lengths are 3.40 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Be(1), one Sn(1), and one Bi(1) atom.