data_CaLaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaBi2
_chemical_formula_sum   'Ca1 La1 Bi2'
_cell_volume   128.79
_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
  La  La3  1  0.0  0.0  0.31  1.0
  Bi  Bi0  1  0.93  0.93  0.52  1.0
  Bi  Bi1  1  0.93  0.93  0.11  1.0

data_CaLaBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaLaBi2
_chemical_formula_sum   'Ca2 La2 Bi4'
_cell_volume   257.58
_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
  La  La1  2  0.0  0.0  0.31  1.0
  Bi  Bi2  2  0.43  0.5  0.11  1.0
  Bi  Bi3  2  0.43  0.5  0.52  1.0

Ca La Bi Bi
Ca La Bi Bi 0 3 - - o 1 3 - - o 1 2 - - o 
CaLaBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaLaBi2 clusters. Ca(1) is bonded in a single-bond geometry to one Bi(2) atom. The Ca(1)-Bi(2) bond length is 0.99 Å. La(1) is bonded in a bent 150 degrees geometry to one Bi(1) and one Bi(2) atom. The La(1)-Bi(1) bond length is 1.84 Å. The La(1)-Bi(2) bond length is 1.84 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one La(1) atom. In the second Bi site, Bi(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one La(1) atom.