data_BeCr4Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr4Cd
_chemical_formula_sum   'Be1 Cr4 Cd1'
_cell_volume   78.77
_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  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.54  0.54  0.26  1.0
  Cr  Cr3  1  0.54  0.26  0.54  1.0
  Cr  Cr4  1  0.26  0.54  0.54  1.0
  Cr  Cr5  1  0.26  0.26  0.26  1.0
  Cd  Cd1  1  0.7  0.7  0.7  1.0

data_BeCr4Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeCr4Cd
_chemical_formula_sum   'Be3 Cr12 Cd3'
_cell_volume   236.32
_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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  9  0.18  0.09  0.55  1.0
  Cr  Cr2  3  0.0  0.0  0.74  1.0
  Cd  Cd3  3  0.0  0.0  0.3  1.0

Be Cr Cr Cr Cr Cd
Be Cr Cr Cr Cr Cd 0 1 - - o 0 1 - o o 0 1 o - o 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 - o o 0 2 o o - 0 4 - o o 0 4 o - o 0 4 o o - 0 4 o o o 0 3 o - - 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o - 2 3 o o o 2 4 o o o 2 5 o - o 3 4 o o o 3 5 - o o 
BeCr4Cd crystallizes in the trigonal R3m space group. Be(1) is bonded in a 12-coordinate geometry to four equivalent Cr(2), six equivalent Cr(1), and three equivalent Cd(1) atoms. There are three shorter (2.90 Å) and one longer (3.11 Å) Be(1)-Cr(2) bond length. All Be(1)-Cr(1) bond lengths are 2.83 Å. All Be(1)-Cd(1) bond lengths are 2.81 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Be(1), two equivalent Cr(1), three equivalent Cr(2), and one Cd(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.33 Å. There is one shorter (2.30 Å) and two longer (3.04 Å) Cr(1)-Cr(2) bond lengths. The Cr(1)-Cd(1) bond length is 2.22 Å. In the second Cr site, Cr(2) is bonded in a 16-coordinate geometry to four equivalent Be(1), nine equivalent Cr(1), and three equivalent Cd(1) atoms. All Cr(2)-Cd(1) bond lengths are 3.04 Å. Cd(1) is bonded in a 3-coordinate geometry to three equivalent Be(1), three equivalent Cr(1), and three equivalent Cr(2) atoms.