data_BaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   52.81
_cell_angle_beta   52.81
_cell_angle_gamma   52.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi
_chemical_formula_sum   'Ba2 Bi2'
_cell_volume   165.9
_cell_formula_units_Z   2
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  0.0  0.0  0.14  1.0
  Ba  Ba1  1  0.0  0.0  0.75  1.0
  Bi  Bi2  1  0.0  0.0  0.33  1.0
  Bi  Bi3  1  0.0  0.0  0.55  1.0

data_BaBi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   10.1
_cell_length_b   5.83
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   120.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BaBi
_chemical_formula_sum   'Ba4 Bi4'
_cell_volume   331.81
_cell_formula_units_Z   4
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+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ba  Ba0  4  -0.0  0.0  0.3  1.0
  Bi  Bi1  4  0.0  0.0  0.11  1.0

Ba Ba Bi Bi
Ba Ba Bi Bi 0 2 o o o 1 3 o o o 2 3 o o o 
BaBi is beta oxygen structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four BaBi clusters. Ba(1) is bonded in a single-bond geometry to one Bi(1) atom. The Ba(1)-Bi(1) bond length is 1.27 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ba(1) atom.