data_LaBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   138.91
_cell_angle_beta   138.91
_cell_angle_gamma   59.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBi4
_chemical_formula_sum   'La1 Bi4'
_cell_volume   211.35
_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
  La  La4  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.77  0.0  0.43  1.0
  Bi  Bi1  1  0.0  0.77  0.43  1.0
  Bi  Bi2  1  0.0  0.0  0.47  1.0
  Bi  Bi3  1  0.0  0.0  0.26  1.0

data_LaBi4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   119.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBi4
_chemical_formula_sum   'La2 Bi8'
_cell_volume   422.69
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.04  0.39  0.66  1.0
  Bi  Bi2  2  0.26  0.0  0.26  1.0
  Bi  Bi3  2  0.47  0.0  0.47  1.0

La Bi Bi Bi Bi
LaBi4 crystallizes in the monoclinic Cm space group. La(1) is bonded in a distorted single-bond geometry to one Bi(3) and four equivalent Bi(1) atoms. The La(1)-Bi(3) bond length is 2.03 Å. There are two shorter (3.36 Å) and two longer (4.20 Å) La(1)-Bi(1) bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Bi(1), and one Bi(2) atom. The Bi(1)-Bi(1) bond length is 1.77 Å. The Bi(1)-Bi(2) bond length is 1.56 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Bi(3) and two equivalent Bi(1) atoms. The Bi(2)-Bi(3) bond length is 1.70 Å. In the third Bi site, Bi(3) is bonded in a distorted linear geometry to one La(1) and one Bi(2) atom.