data_LaYBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYBe2
_chemical_formula_sum   'La1 Y1 Be2'
_cell_volume   86.14
_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
  La  La2  1  0.0  0.0  0.53  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.75  0.75  0.54  1.0
  Be  Be1  1  0.75  0.75  0.52  1.0

data_LaYBe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaYBe2
_chemical_formula_sum   'La2 Y2 Be4'
_cell_volume   172.28
_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
  La  La0  2  0.0  0.0  0.53  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Be  Be2  2  0.25  0.5  0.52  1.0
  Be  Be3  2  0.25  0.5  0.54  1.0

La Y Be Be
Be2LaY crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Be(2), one La(1), and one Y(1) atom. The Be(1)-Be(2) bond length is 0.16 Å. The Be(1)-La(1) bond length is 1.26 Å. The Be(1)-Y(1) bond length is 3.46 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Be(1) and one La(1) atom. The Be(2)-La(1) bond length is 1.26 Å. La(1) is bonded in a 2-coordinate geometry to one Be(1), one Be(2), and two equivalent Y(1) atoms. There is one shorter (3.30 Å) and one longer (3.76 Å) La(1)-Y(1) bond length. Y(1) is bonded to one Be(1), two equivalent La(1), and four equivalent Y(1) atoms to form a mixture of corner and edge-sharing YLa2Y4Be pentagonal bipyramids. All Y(1)-Y(1) bond lengths are 3.49 Å.