data_BeI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.66
_cell_length_b   11.66
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeI3
_chemical_formula_sum   'Be2 I6'
_cell_volume   393.81
_cell_formula_units_Z   2
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  0.73  0.84  1.0
  Be  Be1  1  0.83  0.37  0.51  1.0
  I  I2  1  0.0  0.61  0.51  1.0
  I  I3  1  0.84  0.79  0.51  1.0
  I  I4  1  0.16  0.79  0.51  1.0
  I  I5  1  0.83  0.49  0.84  1.0
  I  I6  1  1.0  0.31  0.84  1.0
  I  I7  1  0.67  0.31  0.84  1.0

data_BeI3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.34
_cell_length_b   11.66
_cell_length_c   11.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeI3
_chemical_formula_sum   'Be2 I6'
_cell_volume   393.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.42  0.32  1.0
  I  I1  2  0.34  0.42  0.74  1.0
  I  I2  2  0.34  0.58  0.56  1.0
  I  I3  2  0.34  0.75  0.74  1.0

Be Be I I I I I I
BeI3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two BeI3 clusters. Be(1) is bonded in a 1-coordinate geometry to one I(1), one I(2), and one I(3) atom. The Be(1)-I(1) bond length is 1.77 Å. The Be(1)-I(2) bond length is 2.59 Å. The Be(1)-I(3) bond length is 2.01 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to one Be(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Be(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Be(1) atom.