data_YBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2
_chemical_formula_sum   'Y1 Be2'
_cell_volume   49.1
_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  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.58  0.46  1.0
  Be  Be1  1  0.58  0.0  0.46  1.0

data_YBe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBe2
_chemical_formula_sum   'Y2 Be4'
_cell_volume   98.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Y0  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.29  0.29  0.46  1.0

Y Be Be
Be2Y crystallizes in the monoclinic Cm space group. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to four Be(1,1) and four Y(1,1) atoms. There are a spread of Be(1)-Be(1,1) bond distances ranging from 1.87-2.60 Å. There are a spread of Be(1)-Y(1,1) bond distances ranging from 2.60-3.24 Å. In the second Be site, Be(1) is bonded in a 8-coordinate geometry to four Be(1,1) and four Y(1,1) atoms. Both Be(1)-Be(1) bond lengths are 2.26 Å. There are a spread of Be(1)-Y(1,1) bond distances ranging from 2.60-3.24 Å. In the third Be site, Be(1) is bonded in a 8-coordinate geometry to four Be(1,1) and four Y(1,1) atoms. There is one shorter (1.87 Å) and one longer (2.60 Å) Be(1)-Be(1) bond length. There are a spread of Be(1)-Y(1,1) bond distances ranging from 2.60-3.24 Å. In the fourth Be site, Be(1) is bonded in a 8-coordinate geometry to four Be(1,1) and four Y(1,1) atoms. There are a spread of Be(1)-Y(1,1) bond distances ranging from 2.60-3.24 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to eight Be(1,1,1,1) and four equivalent Y(1) atoms to form a mixture of distorted edge, face, and corner-sharing YY4Be8 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.16 Å. In the second Y site, Y(1) is bonded to eight Be(1,1,1,1) and four equivalent Y(1) atoms to form a mixture of distorted edge, face, and corner-sharing YY4Be8 cuboctahedra.