data_BeSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.75
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2Bi
_chemical_formula_sum   'Be1 Si2 Bi1'
_cell_volume   77.55
_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  0.77  1.0
  Si  Si2  1  0.0  0.0  0.54  1.0
  Si  Si3  1  0.7  0.87  0.56  1.0
  Bi  Bi1  1  0.7  0.87  0.27  1.0

data_BeSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.75
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2Bi
_chemical_formula_sum   'Be1 Si2 Bi1'
_cell_volume   77.55
_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  0.77  1.0
  Si  Si1  1  0.0  0.0  0.54  1.0
  Si  Si2  1  0.7  0.87  0.56  1.0
  Bi  Bi3  1  0.7  0.87  0.27  1.0

Be Si Si Bi
Be Si Si Bi 0 2 - - o 0 1 o o o 1 2 - - o 1 3 - - o 2 3 o o o 
BeSi2Bi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeSi2Bi cluster. Be(1) is bonded in a 2-coordinate geometry to one Si(1) and one Si(2) atom. The Be(1)-Si(1) bond length is 1.42 Å. The Be(1)-Si(2) bond length is 1.68 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Be(1), one Si(2), and one Bi(1) atom. The Si(1)-Si(2) bond length is 1.14 Å. The Si(1)-Bi(1) bond length is 2.00 Å. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to one Be(1), one Si(1), and one Bi(1) atom. The Si(2)-Bi(1) bond length is 1.82 Å. Bi(1) is bonded in a 2-coordinate geometry to one Si(1) and one Si(2) atom.