data_AlB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.02
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlB2P
_chemical_formula_sum   'Al1 B2 P1'
_cell_volume   43.99
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.54  0.51  0.62  1.0
  B  B2  1  0.64  0.51  0.82  1.0
  P  P3  1  0.59  0.0  0.22  1.0

data_AlB2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.28
_cell_length_b   3.02
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlB2P
_chemical_formula_sum   'Al1 B2 P1'
_cell_volume   43.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.54  0.5  0.62  1.0
  B  B2  1  0.64  0.5  0.82  1.0
  P  P3  1  0.59  0.0  0.22  1.0

Al B B P
AlB2P crystallizes in the triclinic P1 space group. Al(1) is bonded in a 4-coordinate geometry to two equivalent B(2) and two equivalent P(1) atoms. There is one shorter (2.05 Å) and one longer (2.10 Å) Al(1)-B(2) bond length. There is one shorter (1.68 Å) and one longer (2.15 Å) Al(1)-P(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2) and two equivalent P(1) atoms. The B(1)-B(2) bond length is 0.92 Å. There is one shorter (2.33 Å) and one longer (2.36 Å) B(1)-P(1) bond length. In the second B site, B(2) is bonded in a 3-coordinate geometry to two equivalent Al(1), one B(1), and two equivalent P(1) atoms. There is one shorter (2.33 Å) and one longer (2.36 Å) B(2)-P(1) bond length. P(1) is bonded in a 6-coordinate geometry to two equivalent Al(1), two equivalent B(1), and two equivalent B(2) atoms.