data_BeAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Ir
_chemical_formula_sum   'Be1 As2 Ir1'
_cell_volume   59.63
_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  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.48  0.48  0.1  1.0
  As  As1  1  0.48  0.48  0.67  1.0
  Ir  Ir3  1  0.0  0.0  0.38  1.0

data_BeAs2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAs2Ir
_chemical_formula_sum   'Be2 As4 Ir2'
_cell_volume   119.25
_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  0.0  1.0
  As  As1  2  0.48  0.0  0.1  1.0
  As  As2  2  0.48  0.0  0.67  1.0
  Ir  Ir3  2  0.0  0.0  0.38  1.0

Be As As Ir
Be As As Ir 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o o 0 2 o o - 0 2 o - - 0 2 - o - 0 2 - - - 1 2 o o - 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
BeIrAs2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent As(1) atoms. The Be(1)-Ir(1) bond length is 2.59 Å. There are a spread of Be(1)-As(1) bond distances ranging from 2.14-2.27 Å. Ir(1) is bonded in a 1-coordinate geometry to one Be(1) and four equivalent As(2) atoms. There are a spread of Ir(1)-As(2) bond distances ranging from 2.80-2.90 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to four equivalent Be(1) and one As(2) atom. The As(1)-As(2) bond length is 2.92 Å. In the second As site, As(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), one As(1), and four equivalent As(2) atoms. All As(2)-As(2) bond lengths are 2.97 Å.