data_Li2B4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   6.07
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B4P
_chemical_formula_sum   'Li8 B16 P4'
_cell_volume   342.2
_cell_formula_units_Z   4
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
  Li  Li16  1  0.0  0.0  0.0  1.0
  Li  Li17  1  0.41  0.0  0.2  1.0
  Li  Li18  1  0.0  0.04  0.0  1.0
  Li  Li19  1  0.41  0.04  0.2  1.0
  Li  Li20  1  0.43  0.52  0.3  1.0
  Li  Li21  1  0.79  0.56  0.11  1.0
  Li  Li22  1  0.38  0.56  0.09  1.0
  Li  Li23  1  0.02  0.52  0.29  1.0
  B  B0  1  0.67  0.52  0.39  1.0
  B  B1  1  0.54  0.56  0.58  1.0
  B  B2  1  0.14  0.56  0.01  1.0
  B  B3  1  0.27  0.52  0.81  1.0
  B  B4  1  0.07  0.52  0.62  1.0
  B  B5  1  0.15  0.56  0.82  1.0
  B  B6  1  0.74  0.56  0.77  1.0
  B  B7  1  0.66  0.52  0.58  1.0
  B  B8  1  0.24  0.94  0.94  1.0
  B  B9  1  0.98  0.14  0.74  1.0
  B  B10  1  0.57  0.9  0.46  1.0
  B  B11  1  0.84  0.17  0.66  1.0
  B  B12  1  0.57  0.14  0.46  1.0
  B  B13  1  0.84  0.94  0.66  1.0
  B  B14  1  0.24  0.17  0.94  1.0
  B  B15  1  0.98  0.9  0.74  1.0
  P  P24  1  0.63  0.52  0.11  1.0
  P  P25  1  0.59  0.56  0.3  1.0
  P  P26  1  0.19  0.56  0.29  1.0
  P  P27  1  0.22  0.52  0.09  1.0

data_Li2B4P
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   6.39
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B4P
_chemical_formula_sum   'Li8 B16 P4'
_cell_volume   342.2
_cell_formula_units_Z   4
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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.2  0.41  1.0
  Li  Li2  1  0.04  -0.0  -0.0  1.0
  Li  Li3  1  0.04  0.2  0.41  1.0
  Li  Li4  1  0.52  0.29  0.02  1.0
  Li  Li5  1  0.52  0.3  0.43  1.0
  Li  Li6  1  0.56  0.09  0.38  1.0
  Li  Li7  1  0.56  0.11  0.79  1.0
  B  B8  1  0.14  0.46  0.57  1.0
  B  B9  1  0.14  0.74  0.98  1.0
  B  B10  1  0.17  0.66  0.84  1.0
  B  B11  1  0.17  0.94  0.24  1.0
  B  B12  1  0.52  0.39  0.67  1.0
  B  B13  1  0.52  0.58  0.66  1.0
  B  B14  1  0.52  0.62  0.07  1.0
  B  B15  1  0.52  0.81  0.27  1.0
  B  B16  1  0.56  0.01  0.14  1.0
  B  B17  1  0.56  0.58  0.54  1.0
  B  B18  1  0.56  0.77  0.74  1.0
  B  B19  1  0.56  0.82  0.15  1.0
  B  B20  1  0.9  0.46  0.57  1.0
  B  B21  1  0.9  0.74  0.98  1.0
  B  B22  1  0.94  0.66  0.84  1.0
  B  B23  1  0.94  0.94  0.24  1.0
  P  P24  1  0.52  0.09  0.22  1.0
  P  P25  1  0.52  0.11  0.63  1.0
  P  P26  1  0.56  0.29  0.19  1.0
  P  P27  1  0.56  0.3  0.59  1.0

Li Li Li Li Li Li Li Li B B B B B B B B B B B B B B B B P P P P
Li Li Li Li Li Li Li Li B B B B B B B B B B B B B B B B P P P P 0 2 o o o 1 3 o o o 4 6 o o o 4 25 o o o 5 24 o o o 6 27 o o o 7 26 o o o 8 25 o o o 8 15 o o o 9 15 o o o 10 27 o o o 10 13 o o - 11 13 o o o 12 13 o o o 14 15 o o o 16 22 o + o 17 19 o o o 17 23 o - o 18 20 o + o 19 21 o - o 21 23 o o o 24 25 o o o 26 27 o o o 
LiB2LiB2P is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiB2 cluster and two LiB2P clusters. In the LiB2 cluster, there are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(3), one B(16), and one B(9) atom. The Li(1)-Li(3) bond length is 0.22 Å. The Li(1)-B(16) bond length is 1.79 Å. The Li(1)-B(9) bond length is 2.20 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(4), one B(11), and one B(9) atom. The Li(2)-Li(4) bond length is 0.22 Å. The Li(2)-B(11) bond length is 2.29 Å. The Li(2)-B(9) bond length is 2.25 Å. In the third Li site, Li(3) is bonded in a distorted water-like geometry to one Li(1), one B(10), and one B(15) atom. The Li(3)-B(10) bond length is 1.79 Å. The Li(3)-B(15) bond length is 2.32 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one Li(2), one B(13), and one B(15) atom. The Li(4)-B(13) bond length is 2.29 Å. The Li(4)-B(15) bond length is 2.36 Å. There are eight inequivalent B sites. In the first B site, B(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one B(15) atom. The B(9)-B(15) bond length is 1.43 Å. In the second B site, B(10) is bonded in a 3-coordinate geometry to one Li(3), one B(12), and one B(16) atom. The B(10)-B(12) bond length is 1.37 Å. The B(10)-B(16) bond length is 1.43 Å. In the third B site, B(11) is bonded in a 2-coordinate geometry to one Li(2) and one B(13) atom. The B(11)-B(13) bond length is 1.43 Å. In the fourth B site, B(12) is bonded in an L-shaped geometry to one B(10) and one B(14) atom. The B(12)-B(14) bond length is 1.43 Å. In the fifth B site, B(13) is bonded in a 2-coordinate geometry to one Li(4) and one B(11) atom. In the sixth B site, B(14) is bonded in a distorted water-like geometry to one B(12) and one B(16) atom. The B(14)-B(16) bond length is 1.37 Å. In the seventh B site, B(15) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), and one B(9) atom. In the eighth B site, B(16) is bonded in a 3-coordinate geometry to one Li(1), one B(10), and one B(14) atom. In each LiB2P cluster, there are two inequivalent Li sites. In the first Li site, Li(5) is bonded in a distorted single-bond geometry to one B(2,4) and one P(2,4) atom. The Li(5)-B(2,4) bond length is 2.07 Å. The Li(5)-P(2,4) bond length is 1.45 Å. In the second Li site, Li(6,8) is bonded in a 1-coordinate geometry to one B(7) and one P(1) atom. The Li(6,8)-B(7) bond length is 2.15 Å. The Li(6,8)-P(1) bond length is 1.45 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(8) and one P(2,4) atom. The B(1)-B(8) bond length is 1.22 Å. The B(1)-P(2,4) bond length is 0.93 Å. In the second B site, B(2,4) is bonded in a 2-coordinate geometry to one Li(5) and one B(8) atom. The B(2,4)-B(8) bond length is 1.08 Å. In the third B site, B(7) is bonded in a 2-coordinate geometry to one Li(6,8) and one B(8) atom. The B(7)-B(8) bond length is 1.46 Å. In the fourth B site, B(8) is bonded in a 3-coordinate geometry to one B(1); one B(2,4); and one B(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one Li(6,8) atom. In the second P site, P(2,4) is bonded in a 2-coordinate geometry to one Li(5) and one B(1) atom.