data_Be4InAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4InAg
_chemical_formula_sum   'Be4 In1 Ag1'
_cell_volume   72.19
_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  Be1  1  0.13  0.13  0.48  1.0
  Be  Be2  1  0.13  0.48  0.13  1.0
  Be  Be3  1  0.48  0.13  0.13  1.0
  Be  Be4  1  0.48  0.48  0.48  1.0
  In  In5  1  0.96  0.96  0.96  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Be4InAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be4InAg
_chemical_formula_sum   'Be12 In3 Ag3'
_cell_volume   216.56
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.1  0.55  0.42  1.0
  Be  Be1  3  0.0  0.0  0.52  1.0
  In  In2  3  0.0  0.0  0.04  1.0
  Ag  Ag3  3  0.0  0.0  0.0  1.0

Be Be Be Be In Ag
Be Be Be Be In Ag 0 4 - - o 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 4 - o - 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 4 o - - 2 3 o o o 2 3 o o - 2 3 o - o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 - o o 3 4 o - o 3 4 o o - 4 5 + + + 
Be4AgIn crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to two equivalent Be(1), two equivalent Be(2), and one In(1) atom. Both Be(1)-Be(1) bond lengths are 1.61 Å. Both Be(1)-Be(2) bond lengths are 2.66 Å. The Be(1)-In(1) bond length is 1.84 Å. In the second Be site, Be(2) is bonded in a 9-coordinate geometry to six equivalent Be(1) and three equivalent Ag(1) atoms. All Be(2)-Ag(1) bond lengths are 3.16 Å. Ag(1) is bonded in a single-bond geometry to three equivalent Be(2) and one In(1) atom. The Ag(1)-In(1) bond length is 0.49 Å. In(1) is bonded in a single-bond geometry to three equivalent Be(1) and one Ag(1) atom.