data_YBeCdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCdFe
_chemical_formula_sum   'Y1 Be1 Cd1 Fe1'
_cell_volume   72.72
_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
  Y  Y3  1  0.31  0.31  0.31  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.97  0.97  0.97  1.0
  Fe  Fe2  1  0.66  0.66  0.66  1.0

data_YBeCdFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YBeCdFe
_chemical_formula_sum   'Y3 Be3 Cd3 Fe3'
_cell_volume   218.16
_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
  Y  Y0  3  0.0  0.0  0.69  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.03  1.0
  Fe  Fe3  3  0.0  0.0  0.34  1.0

Y Be Cd Fe
Y Be Cd Fe 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 o - - 1 3 - o - 1 3 - - o 2 3 + o o 2 3 o + o 2 3 o o + 
BeYFeCd crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to four equivalent Y(1) and one Cd(1) atom. There are three shorter (2.72 Å) and one longer (3.59 Å) Be(1)-Y(1) bond length. The Be(1)-Cd(1) bond length is 0.35 Å. Y(1) is bonded in a 11-coordinate geometry to four equivalent Be(1), four equivalent Fe(1), and three equivalent Cd(1) atoms. There are three shorter (2.71 Å) and one longer (3.94 Å) Y(1)-Fe(1) bond length. All Y(1)-Cd(1) bond lengths are 2.71 Å. Fe(1) is bonded in a distorted trigonal planar geometry to four equivalent Y(1) atoms. Cd(1) is bonded in a single-bond geometry to one Be(1) and three equivalent Y(1) atoms.