data_YScBeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScBeBi
_chemical_formula_sum   'Y1 Sc1 Be1 Bi1'
_cell_volume   95.77
_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
  Y  Y3  1  0.63  0.63  0.63  1.0
  Sc  Sc2  1  0.82  0.82  0.82  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.45  0.45  0.45  1.0

data_YScBeBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YScBeBi
_chemical_formula_sum   'Y3 Sc3 Be3 Bi3'
_cell_volume   287.32
_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
  Y  Y0  3  0.0  0.0  0.37  1.0
  Sc  Sc1  3  0.0  0.0  0.18  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.55  1.0

Y Sc Be Bi
BeYScBi crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent Y(1) and one Sc(1) atom to form distorted BeY3Sc trigonal pyramids that share corners with three equivalent Sc(1)YBeBi3 trigonal bipyramids and corners with six equivalent Be(1)Y3Sc trigonal pyramids. All Be(1)-Y(1) bond lengths are 3.00 Å. The Be(1)-Sc(1) bond length is 2.32 Å. Y(1) is bonded in a 2-coordinate geometry to three equivalent Be(1), one Sc(1), and one Bi(1) atom. The Y(1)-Sc(1) bond length is 2.32 Å. The Y(1)-Bi(1) bond length is 2.32 Å. Sc(1) is bonded to one Be(1), one Y(1), and three equivalent Bi(1) atoms to form distorted ScYBeBi3 trigonal bipyramids that share corners with six equivalent Sc(1)YBeBi3 trigonal bipyramids and corners with three equivalent Be(1)Y3Sc trigonal pyramids. All Sc(1)-Bi(1) bond lengths are 3.00 Å. Bi(1) is bonded in a 1-coordinate geometry to one Y(1) and three equivalent Sc(1) atoms.