data_YBeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeSn
_chemical_formula_sum   'Y1 Be1 Sn1'
_cell_volume   79.26
_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  Y2  1  0.7  0.7  0.7  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.41  0.41  0.41  1.0

data_YBeSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YBeSn
_chemical_formula_sum   'Y3 Be3 Sn3'
_cell_volume   237.77
_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  0.3  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.59  1.0

Y Be Sn
BeYSn is half-Heusler structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to four equivalent Y(1) and three equivalent Sn(1) atoms to form distorted BeY4Sn3 hexagonal pyramids that share corners with six equivalent Y(1)Be4Sn4 hexagonal bipyramids, corners with four equivalent Sn(1)Y4Be3 hexagonal pyramids, corners with six equivalent Be(1)Y4Sn3 hexagonal pyramids, edges with three equivalent Y(1)Be4Sn4 hexagonal bipyramids, edges with six equivalent Be(1)Y4Sn3 hexagonal pyramids, and edges with six equivalent Sn(1)Y4Be3 hexagonal pyramids. There are three shorter (2.82 Å) and one longer (3.49 Å) Be(1)-Y(1) bond length. All Be(1)-Sn(1) bond lengths are 2.92 Å. Y(1) is bonded to four equivalent Be(1) and four equivalent Sn(1) atoms to form distorted YBe4Sn4 hexagonal bipyramids that share corners with six equivalent Be(1)Y4Sn3 hexagonal pyramids, corners with six equivalent Sn(1)Y4Be3 hexagonal pyramids, edges with twelve equivalent Y(1)Be4Sn4 hexagonal bipyramids, edges with three equivalent Be(1)Y4Sn3 hexagonal pyramids, and edges with three equivalent Sn(1)Y4Be3 hexagonal pyramids. There are three shorter (2.82 Å) and one longer (3.49 Å) Y(1)-Sn(1) bond length. Sn(1) is bonded to three equivalent Be(1) and four equivalent Y(1) atoms to form distorted SnY4Be3 hexagonal pyramids that share corners with six equivalent Y(1)Be4Sn4 hexagonal bipyramids, corners with four equivalent Be(1)Y4Sn3 hexagonal pyramids, corners with six equivalent Sn(1)Y4Be3 hexagonal pyramids, edges with three equivalent Y(1)Be4Sn4 hexagonal bipyramids, edges with six equivalent Be(1)Y4Sn3 hexagonal pyramids, and edges with six equivalent Sn(1)Y4Be3 hexagonal pyramids.