data_BeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr3
_chemical_formula_sum   'Be1 Ir3'
_cell_volume   54.22
_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
  Ir  Ir1  1  0.33  0.88  0.35  1.0
  Ir  Ir2  1  0.33  0.12  0.35  1.0
  Ir  Ir3  1  0.66  0.0  0.0  1.0

data_BeIr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   109.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr3
_chemical_formula_sum   'Be1 Ir3'
_cell_volume   54.22
_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
  Ir  Ir1  1  0.0  0.66  0.0  1.0
  Ir  Ir2  1  0.35  0.33  0.88  1.0
  Ir  Ir3  1  0.35  0.33  0.12  1.0

Be Ir Ir Ir
BeIr3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeIr3 cluster. Be(1) is bonded in a 2-coordinate geometry to one Ir(2) and one Ir(3) atom. The Be(1)-Ir(2) bond length is 1.73 Å. The Be(1)-Ir(3) bond length is 1.56 Å. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) atom. The Ir(1)-Ir(2) bond length is 1.09 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one Be(1) and one Ir(1) atom. In the third Ir site, Ir(3) is bonded in a distorted single-bond geometry to one Be(1) atom.