data_Y2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Be
_chemical_formula_sum   'Y4 Be2'
_cell_volume   163.56
_cell_formula_units_Z   2
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  0.26  0.26  0.43  1.0
  Y  Y3  1  0.43  0.26  0.26  1.0
  Y  Y4  1  0.26  0.43  0.26  1.0
  Y  Y5  1  0.43  0.43  0.43  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.17  0.17  0.17  1.0

data_Y2Be
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   15.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2Be
_chemical_formula_sum   'Y12 Be6'
_cell_volume   490.69
_cell_formula_units_Z   6
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  9  0.06  0.11  0.69  1.0
  Y  Y1  3  0.0  0.0  0.57  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Be  Be3  3  0.0  0.0  0.83  1.0

Y Y Y Y Be Be
BeY2 crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted trigonal pyramidal geometry to one Be(2) and three equivalent Y(1) atoms. The Be(1)-Be(2) bond length is 2.56 Å. All Be(1)-Y(1) bond lengths are 2.96 Å. In the second Be site, Be(2) is bonded in a 4-coordinate geometry to one Be(1) and three equivalent Y(1) atoms. All Be(2)-Y(1) bond lengths are 2.22 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Be(1), one Be(2), one Y(2), and two equivalent Y(1) atoms. The Y(1)-Y(2) bond length is 1.81 Å. Both Y(1)-Y(1) bond lengths are 1.05 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to three equivalent Y(1) atoms.