data_BeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr
_chemical_formula_sum   'Be2 Ir2'
_cell_volume   44.65
_cell_formula_units_Z   2
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  0.4  0.0  0.39  1.0
  Be  Be1  1  0.0  0.4  0.27  1.0
  Ir  Ir2  1  0.4  0.0  0.99  1.0
  Ir  Ir3  1  0.0  0.4  0.67  1.0

data_BeIr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BeIr
_chemical_formula_sum   'Be4 Ir4'
_cell_volume   89.3
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.2  0.5  0.06  1.0
  Ir  Ir1  4  0.2  0.5  0.66  1.0

Be Be Ir Ir
Be Be Ir Ir 0 1 o - o 0 1 o o o 0 1 + o o 0 3 o o o 0 3 + o o 0 3 + - o 0 3 o - o 0 2 o o - 1 2 o o - 1 2 o + - 1 2 - + - 1 2 - o - 1 3 o o o 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
BeIr is gamma CuTi structured and crystallizes in the monoclinic C2/m space group. Be(1) is bonded in a 9-coordinate geometry to four equivalent Be(1) and five Ir(1,1) atoms. There are a spread of Be(1)-Be(1) bond distances ranging from 1.75-2.46 Å. There are a spread of Be(1)-Ir(1,1) bond distances ranging from 2.27-2.86 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 13-coordinate geometry to five equivalent Be(1) and eight Ir(1,1) atoms. There are a spread of Ir(1)-Ir(1,1) bond distances ranging from 2.39-2.96 Å. In the second Ir site, Ir(1) is bonded in a 13-coordinate geometry to five equivalent Be(1) and eight equivalent Ir(1) atoms.