The material structure described by Be46Ir7 crystallizes in the trigonal P3m1 space group. There are twenty-eight inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(13), three equivalent Be(7), six equivalent Be(25), and three equivalent Ir(1) atoms. In the second Be site, Be(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(14), three equivalent Be(8), six equivalent Be(26), and three equivalent Ir(2) atoms. In the third Be site, Be(3) is bonded in a 15-coordinate geometry to three equivalent Be(15), three equivalent Be(9), six equivalent Be(27), and three equivalent Ir(3) atoms. In the fourth Be site, Be(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(10), three equivalent Be(16), six equivalent Be(25), and three equivalent Ir(4) atoms. In the fifth Be site, Be(5) is bonded in a 15-coordinate geometry to three equivalent Be(11), three equivalent Be(17), six equivalent Be(26), and three equivalent Ir(5) atoms. In the sixth Be site, Be(6) is bonded in a 3-coordinate geometry to three equivalent Be(12), three equivalent Be(18), six equivalent Be(27), and three equivalent Ir(6) atoms. In the seventh Be site, Be(7) is bonded to three equivalent Be(1), three equivalent Be(13), three equivalent Be(25), and three equivalent Ir(1) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(25)Be10Ir2 cuboctahedra, edges with six equivalent Be(7)Be9Ir3 cuboctahedra,  a faceface with one Be(10)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(25)Be10Ir2 cuboctahedra. In the eighth Be site, Be(8) is bonded to three equivalent Be(14), three equivalent Be(2), three equivalent Be(26), and three equivalent Ir(2) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(26)Be10Ir2 cuboctahedra, edges with six equivalent Be(8)Be9Ir3 cuboctahedra,  a faceface with one Be(11)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(26)Be10Ir2 cuboctahedra. In the ninth Be site, Be(9) is bonded to three equivalent Be(15), three equivalent Be(27), three equivalent Be(3), and three equivalent Ir(3) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(27)Be10Ir2 cuboctahedra, edges with six equivalent Be(9)Be9Ir3 cuboctahedra,  a faceface with one Be(12)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(27)Be10Ir2 cuboctahedra. In the tenth Be site, Be(10) is bonded to three equivalent Be(16), three equivalent Be(25), three equivalent Be(4), and three equivalent Ir(4) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(25)Be10Ir2 cuboctahedra, edges with six equivalent Be(10)Be9Ir3 cuboctahedra,  a faceface with one Be(7)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(25)Be10Ir2 cuboctahedra. In the eleventh Be site, Be(11) is bonded to three equivalent Be(17), three equivalent Be(26), three equivalent Be(5), and three equivalent Ir(5) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(26)Be10Ir2 cuboctahedra, edges with six equivalent Be(11)Be9Ir3 cuboctahedra,  a faceface with one Be(8)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(26)Be10Ir2 cuboctahedra. In the twelfth Be site, Be(12) is bonded to three equivalent Be(18), three equivalent Be(27), three equivalent Be(6), and three equivalent Ir(6) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(27)Be10Ir2 cuboctahedra, edges with six equivalent Be(12)Be9Ir3 cuboctahedra,  a faceface with one Be(9)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(27)Be10Ir2 cuboctahedra. In the thirteenth Be site, Be(13) is bonded in a distorted q6 geometry to one Be(1), one Be(7), two equivalent Be(19), four equivalent Be(13), and two equivalent Ir(1) atoms. In the fourteenth Be site, Be(14) is bonded in a distorted q6 geometry to one Be(2), one Be(28), one Be(8), two equivalent Be(20), four equivalent Be(14), and two equivalent Ir(2) atoms. In the fifteenth Be site, Be(15) is bonded in a 11-coordinate geometry to one Be(3), one Be(9), two equivalent Be(21), four equivalent Be(15), one Ir(7), and two equivalent Ir(3) atoms. In the sixteenth Be site, Be(16) is bonded in a 11-coordinate geometry to one Be(10), one Be(28), one Be(4), two equivalent Be(22), four equivalent Be(16), and two equivalent Ir(4) atoms. In the seventeenth Be site, Be(17) is bonded in a 11-coordinate geometry to one Be(11), one Be(5), two equivalent Be(23), four equivalent Be(17), one Ir(7), and two equivalent Ir(5) atoms. In the eighteenth Be site, Be(18) is bonded in a distorted q6 geometry to one Be(12), one Be(6), two equivalent Be(24), four equivalent Be(18), and two equivalent Ir(6) atoms. In the nineteenth Be site, Be(19) is bonded in a 8-coordinate geometry to one Be(24), six equivalent Be(13), and one Ir(1) atom. In the twentieth Be site, Be(20) is bonded in a 8-coordinate geometry to one Be(22), six equivalent Be(14), and one Ir(2) atom. In the twenty-first Be site, Be(21) is bonded in a 11-coordinate geometry to one Be(23), six equivalent Be(15), one Ir(3), and three equivalent Ir(7) atoms. In the twenty-second Be site, Be(22) is bonded in a 8-coordinate geometry to one Be(20), six equivalent Be(16), and one Ir(4) atom. In the twenty-third Be site, Be(23) is bonded in a 11-coordinate geometry to one Be(21), six equivalent Be(17), one Ir(5), and three equivalent Ir(7) atoms. In the twenty-fourth Be site, Be(24) is bonded in a 8-coordinate geometry to one Be(19), six equivalent Be(18), and one Ir(6) atom. In the twenty-fifth Be site, Be(25) is bonded to one Be(10), one Be(7), two equivalent Be(1), two equivalent Be(4), four equivalent Be(25), one Ir(1), and one Ir(4) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(10)Be9Ir3 cuboctahedra, corners with two equivalent Be(7)Be9Ir3 cuboctahedra, corners with four equivalent Be(25)Be10Ir2 cuboctahedra, edges with two equivalent Be(25)Be10Ir2 cuboctahedra, faces with three equivalent Be(10)Be9Ir3 cuboctahedra, faces with three equivalent Be(7)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(25)Be10Ir2 cuboctahedra. In the twenty-sixth Be site, Be(26) is bonded to one Be(11), one Be(8), two equivalent Be(2), two equivalent Be(5), four equivalent Be(26), one Ir(2), and one Ir(5) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(11)Be9Ir3 cuboctahedra, corners with two equivalent Be(8)Be9Ir3 cuboctahedra, corners with four equivalent Be(26)Be10Ir2 cuboctahedra, edges with two equivalent Be(26)Be10Ir2 cuboctahedra, faces with three equivalent Be(11)Be9Ir3 cuboctahedra, faces with three equivalent Be(8)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(26)Be10Ir2 cuboctahedra. In the twenty-seventh Be site, Be(27) is bonded to one Be(12), one Be(9), two equivalent Be(3), two equivalent Be(6), four equivalent Be(27), one Ir(3), and one Ir(6) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(12)Be9Ir3 cuboctahedra, corners with two equivalent Be(9)Be9Ir3 cuboctahedra, corners with four equivalent Be(27)Be10Ir2 cuboctahedra, edges with two equivalent Be(27)Be10Ir2 cuboctahedra, faces with three equivalent Be(12)Be9Ir3 cuboctahedra, faces with three equivalent Be(9)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(27)Be10Ir2 cuboctahedra. In the twenty-eighth Be site, Be(28) is bonded in a 6-coordinate geometry to three equivalent Be(14) and three equivalent Be(16) atoms. There are seven inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 16-coordinate geometry to one Be(19), three equivalent Be(1), three equivalent Be(25), three equivalent Be(7), and six equivalent Be(13) atoms. In the second Ir site, Ir(2) is bonded in a 16-coordinate geometry to one Be(20), three equivalent Be(2), three equivalent Be(26), three equivalent Be(8), and six equivalent Be(14) atoms. In the third Ir site, Ir(3) is bonded in a 16-coordinate geometry to one Be(21), three equivalent Be(27), three equivalent Be(3), three equivalent Be(9), and six equivalent Be(15) atoms. In the fourth Ir site, Ir(4) is bonded in a 16-coordinate geometry to one Be(22), three equivalent Be(10), three equivalent Be(25), three equivalent Be(4), and six equivalent Be(16) atoms. In the fifth Ir site, Ir(5) is bonded in a 16-coordinate geometry to one Be(23), three equivalent Be(11), three equivalent Be(26), three equivalent Be(5), and six equivalent Be(17) atoms. In the sixth Ir site, Ir(6) is bonded in a 16-coordinate geometry to one Be(24), three equivalent Be(12), three equivalent Be(27), three equivalent Be(6), and six equivalent Be(18) atoms. In the seventh Ir site, Ir(7) is bonded in a 12-coordinate geometry to three equivalent Be(15), three equivalent Be(17), three equivalent Be(21), and three equivalent Be(23) atoms. is represented by the CIF card [CIF]
data_Be46Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   4.177
_cell_length_c   33.024
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   498.953
_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  0.333  0.667  0.125  1.0
  Be  Be1  1  0.333  0.667  0.458  1.0
  Be  Be2  1  0.333  0.667  0.792  1.0
  Be  Be3  1  0.333  0.667  0.208  1.0
  Be  Be4  1  0.333  0.667  0.541  1.0
  Be  Be5  1  0.333  0.667  0.876  1.0
  Be  Be6  1  0.667  0.333  0.114  1.0
  Be  Be7  1  0.667  0.333  0.447  1.0
  Be  Be8  1  0.667  0.333  0.781  1.0
  Be  Be9  1  0.667  0.333  0.219  1.0
  Be  Be10  1  0.667  0.333  0.552  1.0
  Be  Be11  1  0.667  0.333  0.886  1.0
  Be  Be12  1  0.003  0.501  0.061  1.0
  Be  Be13  1  0.001  0.500  0.394  1.0
  Be  Be14  1  0.006  0.503  0.730  1.0
  Be  Be15  1  0.499  0.997  0.061  1.0
  Be  Be16  1  0.500  0.999  0.394  1.0
  Be  Be17  1  0.497  0.994  0.730  1.0
  Be  Be18  1  0.499  0.501  0.061  1.0
  Be  Be19  1  0.500  0.500  0.394  1.0
  Be  Be20  1  0.497  0.503  0.730  1.0
  Be  Be21  1  0.001  0.501  0.273  1.0
  Be  Be22  1  0.005  0.503  0.604  1.0
  Be  Be23  1  0.003  0.501  0.939  1.0
  Be  Be24  1  0.499  0.999  0.273  1.0
  Be  Be25  1  0.497  0.995  0.604  1.0
  Be  Be26  1  0.499  0.997  0.939  1.0
  Be  Be27  1  0.499  0.501  0.273  1.0
  Be  Be28  1  0.497  0.503  0.604  1.0
  Be  Be29  1  0.499  0.501  0.939  1.0
  Be  Be30  1  0.000  0.000  0.033  1.0
  Be  Be31  1  0.000  0.000  0.365  1.0
  Be  Be32  1  0.000  0.000  0.699  1.0
  Be  Be33  1  0.000  0.000  0.301  1.0
  Be  Be34  1  0.000  0.000  0.635  1.0
  Be  Be35  1  0.000  0.000  0.967  1.0
  Be  Be36  1  0.327  0.163  0.167  1.0
  Be  Be37  1  0.327  0.163  0.500  1.0
  Be  Be38  1  0.327  0.163  0.833  1.0
  Be  Be39  1  0.837  0.673  0.167  1.0
  Be  Be40  1  0.837  0.673  0.500  1.0
  Be  Be41  1  0.837  0.673  0.833  1.0
  Be  Be42  1  0.837  0.163  0.167  1.0
  Be  Be43  1  0.837  0.163  0.500  1.0
  Be  Be44  1  0.837  0.163  0.833  1.0
  Be  Be45  1  0.667  0.333  0.333  1.0
  Ir  Ir46  1  0.000  0.000  0.103  1.0
  Ir  Ir47  1  0.000  0.000  0.436  1.0
  Ir  Ir48  1  0.000  0.000  0.770  1.0
  Ir  Ir49  1  0.000  0.000  0.231  1.0
  Ir  Ir50  1  0.000  0.000  0.563  1.0
  Ir  Ir51  1  0.000  0.000  0.896  1.0
  Ir  Ir52  1  0.333  0.667  0.667  1.0
[/CIF]
.
The material structure described by Be46Ir7 crystallizes in the trigonal P3m1 space group. There are twenty-eight inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(13), three equivalent Be(7), six equivalent Be(25), and three equivalent Ir(1) atoms. In the second Be site, Be(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(14), three equivalent Be(8), six equivalent Be(26), and three equivalent Ir(2) atoms. In the third Be site, Be(3) is bonded in a 15-coordinate geometry to three equivalent Be(15), three equivalent Be(9), six equivalent Be(27), and three equivalent Ir(3) atoms. In the fourth Be site, Be(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(10), three equivalent Be(16), six equivalent Be(25), and three equivalent Ir(4) atoms. In the fifth Be site, Be(5) is bonded in a 15-coordinate geometry to three equivalent Be(11), three equivalent Be(17), six equivalent Be(26), and three equivalent Ir(5) atoms. In the sixth Be site, Be(6) is bonded in a 3-coordinate geometry to three equivalent Be(12), three equivalent Be(18), six equivalent Be(27), and three equivalent Ir(6) atoms. In the seventh Be site, Be(7) is bonded to three equivalent Be(1), three equivalent Be(13), three equivalent Be(25), and three equivalent Ir(1) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(25)Be10Ir2 cuboctahedra, edges with six equivalent Be(7)Be9Ir3 cuboctahedra,  a faceface with one Be(10)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(25)Be10Ir2 cuboctahedra. In the eighth Be site, Be(8) is bonded to three equivalent Be(14), three equivalent Be(2), three equivalent Be(26), and three equivalent Ir(2) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(26)Be10Ir2 cuboctahedra, edges with six equivalent Be(8)Be9Ir3 cuboctahedra,  a faceface with one Be(11)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(26)Be10Ir2 cuboctahedra. In the ninth Be site, Be(9) is bonded to three equivalent Be(15), three equivalent Be(27), three equivalent Be(3), and three equivalent Ir(3) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(27)Be10Ir2 cuboctahedra, edges with six equivalent Be(9)Be9Ir3 cuboctahedra,  a faceface with one Be(12)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(27)Be10Ir2 cuboctahedra. In the tenth Be site, Be(10) is bonded to three equivalent Be(16), three equivalent Be(25), three equivalent Be(4), and three equivalent Ir(4) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(25)Be10Ir2 cuboctahedra, edges with six equivalent Be(10)Be9Ir3 cuboctahedra,  a faceface with one Be(7)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(25)Be10Ir2 cuboctahedra. In the eleventh Be site, Be(11) is bonded to three equivalent Be(17), three equivalent Be(26), three equivalent Be(5), and three equivalent Ir(5) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(26)Be10Ir2 cuboctahedra, edges with six equivalent Be(11)Be9Ir3 cuboctahedra,  a faceface with one Be(8)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(26)Be10Ir2 cuboctahedra. In the twelfth Be site, Be(12) is bonded to three equivalent Be(18), three equivalent Be(27), three equivalent Be(6), and three equivalent Ir(6) atoms to form distorted BeBe9Ir3 cuboctahedra that share corners with six equivalent Be(27)Be10Ir2 cuboctahedra, edges with six equivalent Be(12)Be9Ir3 cuboctahedra,  a faceface with one Be(9)Be9Ir3 cuboctahedra, and faces with nine equivalent Be(27)Be10Ir2 cuboctahedra. In the thirteenth Be site, Be(13) is bonded in a distorted q6 geometry to one Be(1), one Be(7), two equivalent Be(19), four equivalent Be(13), and two equivalent Ir(1) atoms. In the fourteenth Be site, Be(14) is bonded in a distorted q6 geometry to one Be(2), one Be(28), one Be(8), two equivalent Be(20), four equivalent Be(14), and two equivalent Ir(2) atoms. In the fifteenth Be site, Be(15) is bonded in a 11-coordinate geometry to one Be(3), one Be(9), two equivalent Be(21), four equivalent Be(15), one Ir(7), and two equivalent Ir(3) atoms. In the sixteenth Be site, Be(16) is bonded in a 11-coordinate geometry to one Be(10), one Be(28), one Be(4), two equivalent Be(22), four equivalent Be(16), and two equivalent Ir(4) atoms. In the seventeenth Be site, Be(17) is bonded in a 11-coordinate geometry to one Be(11), one Be(5), two equivalent Be(23), four equivalent Be(17), one Ir(7), and two equivalent Ir(5) atoms. In the eighteenth Be site, Be(18) is bonded in a distorted q6 geometry to one Be(12), one Be(6), two equivalent Be(24), four equivalent Be(18), and two equivalent Ir(6) atoms. In the nineteenth Be site, Be(19) is bonded in a 8-coordinate geometry to one Be(24), six equivalent Be(13), and one Ir(1) atom. In the twentieth Be site, Be(20) is bonded in a 8-coordinate geometry to one Be(22), six equivalent Be(14), and one Ir(2) atom. In the twenty-first Be site, Be(21) is bonded in a 11-coordinate geometry to one Be(23), six equivalent Be(15), one Ir(3), and three equivalent Ir(7) atoms. In the twenty-second Be site, Be(22) is bonded in a 8-coordinate geometry to one Be(20), six equivalent Be(16), and one Ir(4) atom. In the twenty-third Be site, Be(23) is bonded in a 11-coordinate geometry to one Be(21), six equivalent Be(17), one Ir(5), and three equivalent Ir(7) atoms. In the twenty-fourth Be site, Be(24) is bonded in a 8-coordinate geometry to one Be(19), six equivalent Be(18), and one Ir(6) atom. In the twenty-fifth Be site, Be(25) is bonded to one Be(10), one Be(7), two equivalent Be(1), two equivalent Be(4), four equivalent Be(25), one Ir(1), and one Ir(4) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(10)Be9Ir3 cuboctahedra, corners with two equivalent Be(7)Be9Ir3 cuboctahedra, corners with four equivalent Be(25)Be10Ir2 cuboctahedra, edges with two equivalent Be(25)Be10Ir2 cuboctahedra, faces with three equivalent Be(10)Be9Ir3 cuboctahedra, faces with three equivalent Be(7)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(25)Be10Ir2 cuboctahedra. In the twenty-sixth Be site, Be(26) is bonded to one Be(11), one Be(8), two equivalent Be(2), two equivalent Be(5), four equivalent Be(26), one Ir(2), and one Ir(5) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(11)Be9Ir3 cuboctahedra, corners with two equivalent Be(8)Be9Ir3 cuboctahedra, corners with four equivalent Be(26)Be10Ir2 cuboctahedra, edges with two equivalent Be(26)Be10Ir2 cuboctahedra, faces with three equivalent Be(11)Be9Ir3 cuboctahedra, faces with three equivalent Be(8)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(26)Be10Ir2 cuboctahedra. In the twenty-seventh Be site, Be(27) is bonded to one Be(12), one Be(9), two equivalent Be(3), two equivalent Be(6), four equivalent Be(27), one Ir(3), and one Ir(6) atom to form distorted BeBe10Ir2 cuboctahedra that share corners with two equivalent Be(12)Be9Ir3 cuboctahedra, corners with two equivalent Be(9)Be9Ir3 cuboctahedra, corners with four equivalent Be(27)Be10Ir2 cuboctahedra, edges with two equivalent Be(27)Be10Ir2 cuboctahedra, faces with three equivalent Be(12)Be9Ir3 cuboctahedra, faces with three equivalent Be(9)Be9Ir3 cuboctahedra, and faces with eight equivalent Be(27)Be10Ir2 cuboctahedra. In the twenty-eighth Be site, Be(28) is bonded in a 6-coordinate geometry to three equivalent Be(14) and three equivalent Be(16) atoms. There are seven inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 16-coordinate geometry to one Be(19), three equivalent Be(1), three equivalent Be(25), three equivalent Be(7), and six equivalent Be(13) atoms. In the second Ir site, Ir(2) is bonded in a 16-coordinate geometry to one Be(20), three equivalent Be(2), three equivalent Be(26), three equivalent Be(8), and six equivalent Be(14) atoms. In the third Ir site, Ir(3) is bonded in a 16-coordinate geometry to one Be(21), three equivalent Be(27), three equivalent Be(3), three equivalent Be(9), and six equivalent Be(15) atoms. In the fourth Ir site, Ir(4) is bonded in a 16-coordinate geometry to one Be(22), three equivalent Be(10), three equivalent Be(25), three equivalent Be(4), and six equivalent Be(16) atoms. In the fifth Ir site, Ir(5) is bonded in a 16-coordinate geometry to one Be(23), three equivalent Be(11), three equivalent Be(26), three equivalent Be(5), and six equivalent Be(17) atoms. In the sixth Ir site, Ir(6) is bonded in a 16-coordinate geometry to one Be(24), three equivalent Be(12), three equivalent Be(27), three equivalent Be(6), and six equivalent Be(18) atoms. In the seventh Ir site, Ir(7) is bonded in a 12-coordinate geometry to three equivalent Be(15), three equivalent Be(17), three equivalent Be(21), and three equivalent Be(23) atoms. is represented by the CIF card [CIF]
data_Be46Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   4.177
_cell_length_c   33.024
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   498.953
_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  0.333  0.667  0.125  1.0
  Be  Be1  1  0.333  0.667  0.458  1.0
  Be  Be2  1  0.333  0.667  0.792  1.0
  Be  Be3  1  0.333  0.667  0.208  1.0
  Be  Be4  1  0.333  0.667  0.541  1.0
  Be  Be5  1  0.333  0.667  0.876  1.0
  Be  Be6  1  0.667  0.333  0.114  1.0
  Be  Be7  1  0.667  0.333  0.447  1.0
  Be  Be8  1  0.667  0.333  0.781  1.0
  Be  Be9  1  0.667  0.333  0.219  1.0
  Be  Be10  1  0.667  0.333  0.552  1.0
  Be  Be11  1  0.667  0.333  0.886  1.0
  Be  Be12  1  0.003  0.501  0.061  1.0
  Be  Be13  1  0.001  0.500  0.394  1.0
  Be  Be14  1  0.006  0.503  0.730  1.0
  Be  Be15  1  0.499  0.997  0.061  1.0
  Be  Be16  1  0.500  0.999  0.394  1.0
  Be  Be17  1  0.497  0.994  0.730  1.0
  Be  Be18  1  0.499  0.501  0.061  1.0
  Be  Be19  1  0.500  0.500  0.394  1.0
  Be  Be20  1  0.497  0.503  0.730  1.0
  Be  Be21  1  0.001  0.501  0.273  1.0
  Be  Be22  1  0.005  0.503  0.604  1.0
  Be  Be23  1  0.003  0.501  0.939  1.0
  Be  Be24  1  0.499  0.999  0.273  1.0
  Be  Be25  1  0.497  0.995  0.604  1.0
  Be  Be26  1  0.499  0.997  0.939  1.0
  Be  Be27  1  0.499  0.501  0.273  1.0
  Be  Be28  1  0.497  0.503  0.604  1.0
  Be  Be29  1  0.499  0.501  0.939  1.0
  Be  Be30  1  0.000  0.000  0.033  1.0
  Be  Be31  1  0.000  0.000  0.365  1.0
  Be  Be32  1  0.000  0.000  0.699  1.0
  Be  Be33  1  0.000  0.000  0.301  1.0
  Be  Be34  1  0.000  0.000  0.635  1.0
  Be  Be35  1  0.000  0.000  0.967  1.0
  Be  Be36  1  0.327  0.163  0.167  1.0
  Be  Be37  1  0.327  0.163  0.500  1.0
  Be  Be38  1  0.327  0.163  0.833  1.0
  Be  Be39  1  0.837  0.673  0.167  1.0
  Be  Be40  1  0.837  0.673  0.500  1.0
  Be  Be41  1  0.837  0.673  0.833  1.0
  Be  Be42  1  0.837  0.163  0.167  1.0
  Be  Be43  1  0.837  0.163  0.500  1.0
  Be  Be44  1  0.837  0.163  0.833  1.0
  Be  Be45  1  0.667  0.333  0.333  1.0
  Ir  Ir46  1  0.000  0.000  0.103  1.0
  Ir  Ir47  1  0.000  0.000  0.436  1.0
  Ir  Ir48  1  0.000  0.000  0.770  1.0
  Ir  Ir49  1  0.000  0.000  0.231  1.0
  Ir  Ir50  1  0.000  0.000  0.563  1.0
  Ir  Ir51  1  0.000  0.000  0.896  1.0
  Ir  Ir52  1  0.333  0.667  0.667  1.0
[/CIF]
.