data_BaBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeBi2
_chemical_formula_sum   'Ba1 Be1 Bi2'
_cell_volume   122.35
_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
  Ba  Ba0  1  0.48  0.48  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.48  0.49  1.0
  Bi  Bi3  1  0.48  0.0  0.49  1.0

data_BaBeBi2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.99
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   BaBeBi2
_chemical_formula_sum   'Ba2 Be2 Bi4'
_cell_volume   244.71
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Ba  Ba0  2  0.0  0.0  0.48  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.5  0.24  0.24  1.0

Ba Be Bi Bi
BaBeBi2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded to four equivalent Be(1) and eight equivalent Bi(1) atoms to form a mixture of face and corner-sharing BaBe4Bi8 cuboctahedra. There are a spread of Ba(1)-Be(1) bond distances ranging from 3.33-3.67 Å. There are a spread of Ba(1)-Bi(1) bond distances ranging from 3.41-3.62 Å. Be(1) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ba(1) atoms.