data_LaGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   137.79
_cell_angle_beta   137.79
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Bi
_chemical_formula_sum   'La1 Ge2 Bi1'
_cell_volume   102.51
_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
  La  La3  1  0.0  0.0  0.27  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.21  0.0  0.64  1.0
  Bi  Bi0  1  0.0  0.21  0.64  1.0

data_LaGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.12
_cell_angle_alpha   111.1
_cell_angle_beta   111.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Bi
_chemical_formula_sum   'La1 Ge2 Bi1'
_cell_volume   102.51
_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
  La  La0  1  0.27  0.27  0.27  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.64  0.43  0.43  1.0
  Bi  Bi3  1  0.43  0.64  0.43  1.0

La Ge Ge Bi
La Ge Ge Bi 0 3 o o o 0 1 o o o 0 2 o o o 2 3 o o o 
LaGe2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaGe2Bi cluster. La(1) is bonded in a 3-coordinate geometry to one Ge(1), one Ge(2), and one Bi(1) atom. The La(1)-Ge(1) bond length is 1.66 Å. The La(1)-Ge(2) bond length is 1.55 Å. The La(1)-Bi(1) bond length is 1.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one La(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one La(1) and one Bi(1) atom. The Ge(2)-Bi(1) bond length is 1.28 Å. Bi(1) is bonded in a 2-coordinate geometry to one La(1) and one Ge(2) atom.