data_YScBePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScBePb
_chemical_formula_sum   'Y1 Sc1 Be1 Pb1'
_cell_volume   89.77
_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  0.33  0.33  0.33  1.0
  Sc  Sc2  1  0.78  0.78  0.78  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.55  0.55  0.55  1.0

data_YScBePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YScBePb
_chemical_formula_sum   'Y3 Sc3 Be3 Pb3'
_cell_volume   269.3
_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  0.67  1.0
  Sc  Sc1  3  0.0  0.0  0.22  1.0
  Be  Be2  3  0.0  0.0  1.0  1.0
  Pb  Pb3  3  0.0  0.0  0.45  1.0

Y Sc Be Pb
BeYScPb crystallizes in the trigonal R3m space group. Be(1) is bonded in a 7-coordinate geometry to three equivalent Y(1) and four equivalent Sc(1) atoms. All Be(1)-Y(1) bond lengths are 2.90 Å. There is one shorter (2.75 Å) and three longer (3.20 Å) Be(1)-Sc(1) bond lengths. Y(1) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Sc(1), and four equivalent Pb(1) atoms. All Y(1)-Sc(1) bond lengths are 3.22 Å. There is one shorter (2.75 Å) and three longer (3.20 Å) Y(1)-Pb(1) bond lengths. Sc(1) is bonded in a 11-coordinate geometry to four equivalent Be(1), three equivalent Y(1), and four equivalent Pb(1) atoms. There is one shorter (2.75 Å) and three longer (3.20 Å) Sc(1)-Pb(1) bond lengths. Pb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Y(1) and four equivalent Sc(1) atoms.