data_Li2BeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.42
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   93.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeIr
_chemical_formula_sum   'Li2 Be1 Ir1'
_cell_volume   47.67
_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
  Li  Li2  1  0.08  0.21  0.99  1.0
  Li  Li3  1  0.44  0.21  0.9  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.26  0.0  0.94  1.0

data_Li2BeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.89
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeIr
_chemical_formula_sum   'Li2 Be1 Ir1'
_cell_volume   47.67
_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
  Li  Li0  1  0.56  0.1  0.79  1.0
  Li  Li1  1  0.92  0.01  0.79  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.74  0.06  0.0  1.0

Li Li Be Ir
Li Li Be Ir 0 2 o o + 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o - 
Li2BeIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2BeIr cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Be(1) and one Ir(1) atom. The Li(1)-Be(1) bond length is 0.95 Å. The Li(1)-Ir(1) bond length is 1.07 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Ir(1) atom. The Li(2)-Ir(1) bond length is 1.07 Å. Be(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ir(1) atom. The Be(1)-Ir(1) bond length is 0.77 Å. Ir(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Be(1) atom.