data_LaY2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   132.61
_cell_angle_beta   132.61
_cell_angle_gamma   69.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Be
_chemical_formula_sum   'La1 Y2 Be1'
_cell_volume   106.94
_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  La1  1  0.35  0.0  0.41  1.0
  Y  Y2  1  0.0  0.0  0.82  1.0
  Y  Y3  1  0.0  0.35  0.41  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaY2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.86
_cell_angle_alpha   113.69
_cell_angle_beta   113.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Be
_chemical_formula_sum   'La1 Y2 Be1'
_cell_volume   106.94
_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  La0  1  0.41  0.06  0.06  1.0
  Y  Y1  1  0.06  0.41  0.06  1.0
  Y  Y2  1  0.82  0.82  0.82  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

La Y Y Be
La Y Y Be 0 3 o o o 1 3 o o + 2 3 o o o 
BeLaY2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeLaY2 cluster. Be(1) is bonded in a distorted single-bond geometry to one La(1), one Y(1), and one Y(2) atom. The Be(1)-La(1) bond length is 1.83 Å. The Be(1)-Y(1) bond length is 1.05 Å. The Be(1)-Y(2) bond length is 1.83 Å. La(1) is bonded in a single-bond geometry to one Be(1) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Be(1) atom. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Be(1) atom.