data_CaBe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   122.11
_cell_angle_beta   122.11
_cell_angle_gamma   86.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe2Pb
_chemical_formula_sum   'Ca1 Be2 Pb1'
_cell_volume   77.02
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.34  0.76  1.0
  Be  Be1  1  0.34  0.0  0.76  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0

data_CaBe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   133.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaBe2Pb
_chemical_formula_sum   'Ca2 Be4 Pb2'
_cell_volume   154.04
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.41  0.17  0.58  1.0
  Pb  Pb2  2  0.48  0.0  0.48  1.0

Ca Be Be Pb
CaBe2Pb crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent Be(1) and two equivalent Pb(1) atoms. There are two shorter (2.45 Å) and two longer (2.76 Å) Ca(1)-Be(1) bond lengths. There is one shorter (2.31 Å) and one longer (2.52 Å) Ca(1)-Pb(1) bond length. Be(1) is bonded in a single-bond geometry to two equivalent Ca(1) and one Pb(1) atom. The Be(1)-Pb(1) bond length is 1.41 Å. Pb(1) is bonded in a distorted water-like geometry to two equivalent Ca(1) and two equivalent Be(1) atoms.