data_ZrBeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeIr2
_chemical_formula_sum   'Zr1 Be1 Ir2'
_cell_volume   59.96
_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
  Zr  Zr3  1  0.07  0.07  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.07  0.75  1.0
  Ir  Ir2  1  0.07  0.0  0.75  1.0

data_ZrBeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBeIr2
_chemical_formula_sum   'Zr2 Be2 Ir4'
_cell_volume   119.93
_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
  Zr  Zr0  2  0.07  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  4  0.03  0.03  0.75  1.0

Zr Be Ir Ir
BeZrIr2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeZrIr2 clusters. Be(1) is bonded in a single-bond geometry to one Zr(1) and two equivalent Ir(1) atoms. The Be(1)-Zr(1) bond length is 0.40 Å. Both Be(1)-Ir(1) bond lengths are 0.92 Å. Zr(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Ir(1) atoms. Both Zr(1)-Ir(1) bond lengths are 0.92 Å. Ir(1) is bonded in a 3-coordinate geometry to one Be(1), one Zr(1), and one Ir(1) atom. The Ir(1)-Ir(1) bond length is 0.40 Å.