data_La5B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5B
_chemical_formula_sum   'La5 B1'
_cell_volume   177.8
_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  La1  1  0.79  0.0  0.36  1.0
  La  La2  1  0.9  0.56  0.36  1.0
  La  La3  1  0.6  0.15  0.36  1.0
  La  La4  1  0.3  0.9  0.0  1.0
  La  La5  1  0.0  0.81  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_La5B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5B
_chemical_formula_sum   'La5 B1'
_cell_volume   177.8
_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  -0.0  0.3  0.9  1.0
  La  La1  1  -0.0  0.0  0.81  1.0
  La  La2  1  0.36  0.6  0.15  1.0
  La  La3  1  0.36  0.79  0.0  1.0
  La  La4  1  0.36  0.9  0.56  1.0
  B  B5  1  0.0  0.0  0.0  1.0

La La La La La B
La La La La La B 0 2 o o o 0 5 + o o 1 2 o o o 1 4 + o o 3 4 o o o 4 5 o + o 
La5B crystallizes in the triclinic P1 space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one La(3) and two equivalent B(1) atoms. The La(1)-La(3) bond length is 1.95 Å. There is one shorter (2.18 Å) and one longer (3.32 Å) La(1)-B(1) bond length. In the second La site, La(2) is bonded in a 2-coordinate geometry to one La(3) and one La(5) atom. The La(2)-La(3) bond length is 2.42 Å. The La(2)-La(5) bond length is 2.21 Å. In the third La site, La(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent La(4) atoms. There is one shorter (2.51 Å) and one longer (3.55 Å) La(3)-La(4) bond length. In the fourth La site, La(4) is bonded in a 3-coordinate geometry to one La(5), two equivalent La(3), and one B(1) atom. The La(4)-La(5) bond length is 1.74 Å. The La(4)-B(1) bond length is 2.35 Å. In the fifth La site, La(5) is bonded in a single-bond geometry to one La(2), one La(4), and one B(1) atom. The La(5)-B(1) bond length is 1.26 Å. B(1) is bonded in a distorted single-bond geometry to one La(4), one La(5), and two equivalent La(1) atoms.