data_BeIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr2W
_chemical_formula_sum   'Be1 Ir2 W1'
_cell_volume   56.04
_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  0.4  0.78  0.4  1.0
  Ir  Ir2  1  0.4  0.22  0.4  1.0
  W  W3  1  0.81  0.0  0.0  1.0

data_BeIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   103.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr2W
_chemical_formula_sum   'Be1 Ir2 W1'
_cell_volume   56.04
_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  0.4  0.4  0.22  1.0
  Ir  Ir2  1  0.4  0.4  0.78  1.0
  W  W3  1  0.0  0.81  0.0  1.0

Be Ir Ir W
Be Ir Ir W 0 3 - o o 0 2 o o o 0 2 o o - 1 2 o + o 1 3 o + o 1 3 o + + 
BeWIr2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted single-bond geometry to one W(1), one Ir(2), and two equivalent Ir(1) atoms. The Be(1)-W(1) bond length is 0.86 Å. The Be(1)-Ir(2) bond length is 2.18 Å. There is one shorter (2.54 Å) and one longer (2.83 Å) Be(1)-Ir(1) bond length. W(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Ir(1) atoms. There is one shorter (2.18 Å) and one longer (2.52 Å) W(1)-Ir(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent W(1), two equivalent Ir(1), and two equivalent Ir(2) atoms. Both Ir(1)-Ir(1) bond lengths are 2.80 Å. There is one shorter (1.97 Å) and one longer (2.57 Å) Ir(1)-Ir(2) bond length. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Be(1) and two equivalent Ir(1) atoms.