data_YBeCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCuBi
_chemical_formula_sum   'Y1 Be1 Cu1 Bi1'
_cell_volume   83.18
_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  0.46  0.46  0.46  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.2  0.2  0.2  1.0
  Bi  Bi1  1  0.73  0.73  0.73  1.0

data_YBeCuBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YBeCuBi
_chemical_formula_sum   'Y3 Be3 Cu3 Bi3'
_cell_volume   249.55
_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  0.54  1.0
  Be  Be1  3  0.0  0.0  -0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.8  1.0
  Bi  Bi3  3  0.0  0.0  0.27  1.0

Y Be Cu Bi
Y Be Cu Bi 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 - - - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 - - o 2 3 - o - 2 3 o - - 
BeYCuBi crystallizes in the trigonal R3m space group. Be(1) is bonded in a 4-coordinate geometry to three equivalent Y(1), one Cu(1), and three equivalent Bi(1) atoms. All Be(1)-Y(1) bond lengths are 3.24 Å. The Be(1)-Cu(1) bond length is 2.37 Å. All Be(1)-Bi(1) bond lengths are 2.94 Å. Y(1) is bonded in a 11-coordinate geometry to three equivalent Be(1), four equivalent Cu(1), and four equivalent Bi(1) atoms. There are three shorter (2.94 Å) and one longer (3.21 Å) Y(1)-Cu(1) bond length. There are three shorter (2.94 Å) and one longer (3.21 Å) Y(1)-Bi(1) bond length. Cu(1) is bonded in a 5-coordinate geometry to one Be(1) and four equivalent Y(1) atoms. Bi(1) is bonded in a 7-coordinate geometry to three equivalent Be(1) and four equivalent Y(1) atoms.