data_B24As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B24As5
_chemical_formula_sum   'B24 As5'
_cell_volume   272.86
_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
  B  B5  1  0.61  0.39  0.22  1.0
  B  B6  1  0.39  0.61  0.22  1.0
  B  B7  1  0.61  0.61  0.95  1.0
  B  B8  1  0.48  0.48  0.86  1.0
  B  B9  1  0.61  0.95  0.61  1.0
  B  B10  1  0.48  0.86  0.48  1.0
  B  B11  1  0.39  0.22  0.61  1.0
  B  B12  1  0.61  0.22  0.39  1.0
  B  B13  1  0.22  0.39  0.61  1.0
  B  B14  1  0.22  0.61  0.39  1.0
  B  B15  1  0.86  0.48  0.48  1.0
  B  B16  1  0.95  0.61  0.61  1.0
  B  B17  1  0.36  0.64  0.03  1.0
  B  B18  1  0.64  0.36  0.03  1.0
  B  B19  1  0.45  0.45  0.05  1.0
  B  B20  1  0.64  0.64  0.14  1.0
  B  B21  1  0.45  0.05  0.45  1.0
  B  B22  1  0.64  0.14  0.64  1.0
  B  B23  1  0.64  0.03  0.36  1.0
  B  B24  1  0.36  0.03  0.64  1.0
  B  B25  1  0.03  0.64  0.36  1.0
  B  B26  1  0.03  0.36  0.64  1.0
  B  B27  1  0.14  0.64  0.64  1.0
  B  B28  1  0.05  0.45  0.45  1.0
  As  As0  1  0.73  0.27  0.73  1.0
  As  As1  1  0.27  0.73  0.73  1.0
  As  As2  1  0.73  0.73  0.27  1.0
  As  As3  1  0.35  0.35  0.35  1.0
  As  As4  1  0.0  0.0  0.0  1.0

data_B24As5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.56
_cell_length_b   11.56
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   B24As5
_chemical_formula_sum   'B72 As15'
_cell_volume   818.59
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  B  B0  18  0.01  0.31  0.34  1.0
  B  B1  18  0.15  0.47  0.07  1.0
  B  B2  9  0.07  0.54  0.98  1.0
  B  B3  9  0.17  0.33  0.47  1.0
  B  B4  9  0.21  0.41  0.27  1.0
  B  B5  9  0.22  0.44  0.39  1.0
  As  As6  9  0.02  0.51  0.24  1.0
  As  As7  3  0.0  0.0  0.0  1.0
  As  As8  3  0.0  0.0  0.35  1.0

B B B B B B B B B B B B B B B B B B B B B B B B As As As As As
B B B B B B B B B B B B B B B B B B B B B B B B As As As As As 0 14 o o o 0 13 o o o 0 27 o o o 0 28 o o o 1 12 o o o 1 14 o o o 1 27 o o o 1 28 o o o 2 3 o o o 2 28 + + + 3 14 o o + 3 28 + + + 4 5 o o o 4 28 + + + 5 16 o + o 5 28 + + + 6 16 o o o 6 19 o o o 6 27 o o o 6 28 o o o 7 16 o o o 7 18 o o o 7 27 o o o 7 28 o o o 8 21 o o o 8 23 o o o 8 27 o o o 8 28 o o o 9 23 o o o 9 20 o o o 9 27 o o o 9 28 o o o 10 11 o o o 10 23 + o o 10 28 + + + 11 28 + + + 12 14 o o o 13 14 o o o 14 15 o o o 14 27 o o o 14 28 o o o 15 26 o o o 15 28 + + o 16 19 o o o 16 18 o o o 16 17 o o o 16 27 o o o 16 28 o o o 17 24 o o o 17 28 + o + 20 23 o o o 21 23 o o o 22 25 o o o 22 23 o o o 22 28 o + + 23 27 o o o 23 28 o o o 24 28 + o + 25 28 o + + 26 28 + + o 27 28 o o o 
B24As5 crystallizes in the trigonal R3m space group. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(5), one As(1), and one As(2) atom. The B(1)-B(1) bond length is 1.97 Å. The B(1)-B(3) bond length is 1.81 Å. The B(1)-B(4) bond length is 1.40 Å. The B(1)-B(5) bond length is 1.60 Å. The B(1)-As(1) bond length is 2.13 Å. The B(1)-As(2) bond length is 2.25 Å. In the second B site, B(2) is bonded in a water-like geometry to one B(3) and one B(6) atom. The B(2)-B(3) bond length is 0.85 Å. The B(2)-B(6) bond length is 1.20 Å. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(2), one B(5), and two equivalent B(1) atoms. The B(3)-B(5) bond length is 1.52 Å. In the fourth B site, B(4) is bonded in a 1-coordinate geometry to one B(1) and one B(5) atom. The B(4)-B(5) bond length is 1.71 Å. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(3), one B(6), two equivalent B(1), and two equivalent B(4) atoms. The B(5)-B(6) bond length is 1.34 Å. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(2), one B(5), and one As(1) atom. The B(6)-As(1) bond length is 0.78 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one B(6) and two equivalent B(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to six equivalent B(1) and one As(3) atom. The As(2)-As(3) bond length is 2.50 Å. In the third As site, As(3) is bonded in a single-bond geometry to one As(2) atom.