data_BeReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReIr2
_chemical_formula_sum   'Be1 Re1 Ir2'
_cell_volume   51.74
_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  0.09  1.0
  Re  Re3  1  0.39  0.39  0.53  1.0
  Ir  Ir1  1  0.39  0.39  0.35  1.0
  Ir  Ir2  1  0.0  0.0  0.71  1.0

data_BeReIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeReIr2
_chemical_formula_sum   'Be2 Re2 Ir4'
_cell_volume   103.48
_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
  Be  Be0  2  0.0  0.0  0.09  1.0
  Re  Re1  2  0.39  0.0  0.53  1.0
  Ir  Ir2  2  0.0  0.0  0.71  1.0
  Ir  Ir3  2  0.39  0.0  0.35  1.0

Be Re Ir Ir
BeReIr2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. The Be(1)-Ir(2) bond length is 2.57 Å. There are a spread of Be(1)-Ir(1) bond distances ranging from 2.33-2.96 Å. Re(1) is bonded in a 1-coordinate geometry to one Ir(1) and four equivalent Ir(2) atoms. The Re(1)-Ir(1) bond length is 1.19 Å. There are a spread of Re(1)-Ir(2) bond distances ranging from 1.94-2.67 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to four equivalent Be(1) and one Re(1) atom. In the second Ir site, Ir(2) is bonded in a 5-coordinate geometry to one Be(1) and four equivalent Re(1) atoms.