data_La4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Bi3
_chemical_formula_sum   'La8 Bi6'
_cell_volume   476.97
_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
  La  La6  1  0.16  0.16  0.16  1.0
  La  La7  1  0.7  0.7  0.7  1.0
  La  La8  1  0.68  0.24  0.76  1.0
  La  La9  1  0.24  0.76  0.68  1.0
  La  La10  1  0.76  0.68  0.24  1.0
  La  La11  1  0.3  0.22  0.7  1.0
  La  La12  1  0.22  0.7  0.3  1.0
  La  La13  1  0.7  0.3  0.22  1.0
  Bi  Bi0  1  0.46  0.69  0.0  1.0
  Bi  Bi1  1  0.0  0.46  0.69  1.0
  Bi  Bi2  1  0.38  0.23  0.0  1.0
  Bi  Bi3  1  0.69  0.0  0.46  1.0
  Bi  Bi4  1  0.0  0.38  0.23  1.0
  Bi  Bi5  1  0.23  0.0  0.38  1.0

data_La4Bi3
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.92
_cell_length_b   13.92
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La4Bi3
_chemical_formula_sum   'La24 Bi18'
_cell_volume   1430.92
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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  9  0.02  0.55  0.23  1.0
  La  La1  9  0.15  0.78  0.07  1.0
  La  La2  3  0.0  0.0  0.16  1.0
  La  La3  3  0.0  0.0  0.7  1.0
  Bi  Bi4  9  0.03  0.82  0.2  1.0
  Bi  Bi5  9  0.08  0.38  0.38  1.0

La La La La La La La La Bi Bi Bi Bi Bi Bi
La4Bi3 crystallizes in the trigonal R3 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a trigonal planar geometry to three equivalent Bi(2) atoms. All La(1)-Bi(2) bond lengths are 2.71 Å. In the second La site, La(2) is bonded in a distorted trigonal planar geometry to three equivalent Bi(1) atoms. All La(2)-Bi(1) bond lengths are 3.77 Å. In the third La site, La(3) is bonded in a 2-coordinate geometry to two equivalent Bi(1) atoms. There is one shorter (2.74 Å) and one longer (3.10 Å) La(3)-Bi(1) bond length. In the fourth La site, La(4) is bonded in a 2-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(2) atoms. There is one shorter (3.42 Å) and one longer (3.76 Å) La(4)-Bi(1) bond length. There is one shorter (2.34 Å) and one longer (2.48 Å) La(4)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(3), and two equivalent La(4) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent La(4) atoms.