data_Be4CrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4CrAg
_chemical_formula_sum   'Be4 Cr1 Ag1'
_cell_volume   60.4
_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  0.91  0.32  0.32  1.0
  Be  Be2  1  0.32  0.32  0.91  1.0
  Be  Be3  1  0.32  0.91  0.32  1.0
  Be  Be4  1  0.91  0.91  0.91  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.56  0.56  0.56  1.0

data_Be4CrAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be4CrAg
_chemical_formula_sum   'Be12 Cr3 Ag3'
_cell_volume   181.21
_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  0.2  0.4  0.49  1.0
  Be  Be1  3  0.0  0.0  0.09  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Ag  Ag3  3  0.0  0.0  0.44  1.0

Be Be Be Be Cr Ag
Be Be Be Be Cr Ag 0 5 o o o 0 2 + - o 0 1 + o - 1 2 o - + 1 5 o o o 2 5 o o o 3 4 + + + 
BeCrBe3Ag is alpha As structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Be3Ag clusters and three BeCr clusters. In each Be3Ag cluster, Be(1) is bonded in a distorted single-bond geometry to one Ag(1) atom. The Be(1)-Ag(1) bond length is 1.58 Å. Ag(1) is bonded in a trigonal non-coplanar geometry to three equivalent Be(1) atoms. In each BeCr cluster, Be(2) is bonded in a single-bond geometry to one Cr(1) atom. The Be(2)-Cr(1) bond length is 0.95 Å. Cr(1) is bonded in a single-bond geometry to one Be(2) atom.