data_Be2IrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2IrCl
_chemical_formula_sum   'Be2 Ir1 Cl1'
_cell_volume   49.39
_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  0.36  0.38  0.41  1.0
  Be  Be1  1  0.36  0.62  0.41  1.0
  Ir  Ir3  1  0.71  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2IrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   99.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2IrCl
_chemical_formula_sum   'Be2 Ir1 Cl1'
_cell_volume   49.39
_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  0.41  0.36  0.62  1.0
  Be  Be1  1  0.41  0.36  0.38  1.0
  Ir  Ir2  1  0.0  0.71  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Be Be Ir Cl
Be2IrCl crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 5-coordinate geometry to one Be(2), two equivalent Ir(1), and two equivalent Cl(1) atoms. The Be(1)-Be(2) bond length is 0.97 Å. There is one shorter (2.66 Å) and one longer (2.92 Å) Be(1)-Ir(1) bond length. There is one shorter (2.32 Å) and one longer (2.62 Å) Be(1)-Cl(1) bond length. In the second Be site, Be(2) is bonded in a 4-coordinate geometry to one Be(1), two equivalent Ir(1), and one Cl(1) atom. There is one shorter (2.32 Å) and one longer (2.62 Å) Be(2)-Ir(1) bond length. The Be(2)-Cl(1) bond length is 2.66 Å. Ir(1) is bonded in a distorted single-bond geometry to two equivalent Be(1), two equivalent Be(2), and one Cl(1) atom. The Ir(1)-Cl(1) bond length is 1.21 Å. Cl(1) is bonded in a 1-coordinate geometry to one Be(2), two equivalent Be(1), and one Ir(1) atom.