data_Li2CaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaBe
_chemical_formula_sum   'Li2 Ca1 Be1'
_cell_volume   83.23
_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
  Li  Li2  1  0.0  0.0  0.47  1.0
  Li  Li3  1  0.7  0.7  0.05  1.0
  Ca  Ca1  1  0.7  0.7  0.03  1.0
  Be  Be0  1  0.0  0.0  0.2  1.0

data_Li2CaBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CaBe
_chemical_formula_sum   'Li4 Ca2 Be2'
_cell_volume   166.47
_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
  Li  Li0  2  0.0  0.0  0.47  1.0
  Li  Li1  2  0.2  0.5  0.05  1.0
  Ca  Ca2  2  0.2  0.5  0.03  1.0
  Be  Be3  2  0.0  0.0  0.2  1.0

Li Li Ca Be
Li2CaBe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2CaBe clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Be(1) atom. The Li(1)-Be(1) bond length is 1.92 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Ca(1) and one Be(1) atom. The Li(2)-Ca(1) bond length is 0.11 Å. The Li(2)-Be(1) bond length is 1.79 Å. Ca(1) is bonded in a single-bond geometry to one Li(2) atom. Be(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Li(2) atom.