data_Be24Ag5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be24Ag5
_chemical_formula_sum   'Be24 Ag5'
_cell_volume   285.39
_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  Be5  1  0.78  0.22  0.35  1.0
  Be  Be6  1  0.22  0.78  0.35  1.0
  Be  Be7  1  0.78  0.78  0.95  1.0
  Be  Be8  1  0.37  0.37  0.8  1.0
  Be  Be9  1  0.78  0.95  0.78  1.0
  Be  Be10  1  0.37  0.8  0.37  1.0
  Be  Be11  1  0.22  0.35  0.78  1.0
  Be  Be12  1  0.78  0.35  0.22  1.0
  Be  Be13  1  0.35  0.22  0.78  1.0
  Be  Be14  1  0.35  0.78  0.22  1.0
  Be  Be15  1  0.8  0.37  0.37  1.0
  Be  Be16  1  0.95  0.78  0.78  1.0
  Be  Be17  1  0.9  0.1  0.45  1.0
  Be  Be18  1  0.1  0.9  0.45  1.0
  Be  Be19  1  0.04  0.04  0.7  1.0
  Be  Be20  1  0.1  0.1  0.84  1.0
  Be  Be21  1  0.04  0.7  0.04  1.0
  Be  Be22  1  0.1  0.84  0.1  1.0
  Be  Be23  1  0.1  0.45  0.9  1.0
  Be  Be24  1  0.9  0.45  0.1  1.0
  Be  Be25  1  0.45  0.1  0.9  1.0
  Be  Be26  1  0.45  0.9  0.1  1.0
  Be  Be27  1  0.84  0.1  0.1  1.0
  Be  Be28  1  0.7  0.04  0.04  1.0
  Ag  Ag0  1  0.55  0.45  0.55  1.0
  Ag  Ag1  1  0.45  0.55  0.55  1.0
  Ag  Ag2  1  0.55  0.55  0.45  1.0
  Ag  Ag3  1  0.6  0.6  0.6  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0

data_Be24Ag5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.73
_cell_length_b   11.73
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be24Ag5
_chemical_formula_sum   'Be72 Ag15'
_cell_volume   856.18
_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
  Be  Be0  18  0.08  0.37  0.82  1.0
  Be  Be1  18  0.1  0.34  0.12  1.0
  Be  Be2  9  0.09  0.17  0.02  1.0
  Be  Be3  9  0.1  0.55  0.6  1.0
  Be  Be4  9  0.11  0.05  0.84  1.0
  Be  Be5  9  0.19  0.38  0.18  1.0
  Ag  Ag6  9  0.04  0.07  0.52  1.0
  Ag  Ag7  3  0.0  0.0  -0.0  1.0
  Ag  Ag8  3  0.0  0.0  0.6  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Ag Ag Ag Ag Ag
Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Ag Ag Ag Ag Ag 0 10 o o o 0 12 o o o 1 5 o o o 1 13 o o o 2 27 o o o 2 4 o o o 2 23 o + + 2 22 o + + 2 16 + o + 2 28 + + + 2 11 o o o 2 17 + o + 3 6 o o o 3 8 o o o 4 27 o o o 4 23 o + + 4 22 o + + 4 11 o o o 4 15 + + o 4 14 + + o 4 28 + + + 5 9 o o o 6 18 o o o 7 10 o o o 7 19 o o o 8 20 o o o 9 21 o o o 11 27 o o o 11 15 + + o 11 14 + + o 11 28 + + + 11 16 + o + 11 17 + o + 14 15 o o o 15 28 o o + 16 17 o o o 17 28 o + o 22 23 o o o 22 28 + o o 24 27 o o o 25 27 o o o 26 27 o o o 
Be24Ag5 crystallizes in the trigonal R3m space group. There are six inequivalent Be sites. In the first Be site, Be(1) is bonded in a 2-coordinate geometry to one Be(3) and two equivalent Be(4) atoms. The Be(1)-Be(3) bond length is 0.99 Å. There is one shorter (1.55 Å) and one longer (2.22 Å) Be(1)-Be(4) bond length. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Ag(2) and one Ag(3) atom. The Be(2)-Ag(2) bond length is 2.06 Å. The Be(2)-Ag(3) bond length is 1.62 Å. In the third Be site, Be(3) is bonded in a distorted water-like geometry to two equivalent Be(1) atoms. In the fourth Be site, Be(4) is bonded in a 5-coordinate geometry to one Be(4), one Be(5), one Be(6), and two equivalent Be(1) atoms. The Be(4)-Be(4) bond length is 2.41 Å. The Be(4)-Be(5) bond length is 1.98 Å. The Be(4)-Be(6) bond length is 2.40 Å. In the fifth Be site, Be(5) is bonded in a single-bond geometry to one Be(6) and two equivalent Be(4) atoms. The Be(5)-Be(6) bond length is 0.88 Å. In the sixth Be site, Be(6) is bonded in a 2-coordinate geometry to one Be(5), two equivalent Be(4), and one Ag(3) atom. The Be(6)-Ag(3) bond length is 1.76 Å. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Ag(2) atom. The Ag(1)-Ag(2) bond length is 0.90 Å. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to three equivalent Be(2) and three equivalent Ag(1) atoms. In the third Ag site, Ag(3) is bonded in a 6-coordinate geometry to three equivalent Be(2) and three equivalent Be(6) atoms.