data_BiB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2P
_chemical_formula_sum   'Bi1 B2 P1'
_cell_volume   63.89
_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
  Bi  Bi2  1  0.59  0.59  0.59  1.0
  B  B0  1  0.76  0.76  0.76  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P3  1  0.17  0.17  0.17  1.0

data_BiB2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiB2P
_chemical_formula_sum   'Bi3 B6 P3'
_cell_volume   191.68
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  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'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Bi  Bi0  3  0.0  0.0  0.41  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  B  B2  3  0.0  0.0  0.24  1.0
  P  P3  3  0.0  0.0  0.83  1.0

Bi B B P
B2BiP crystallizes in the trigonal R3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Bi(1) atom. The B(1)-Bi(1) bond length is 1.90 Å. In the second B site, B(2) is bonded in a single-bond geometry to three equivalent Bi(1) and one P(1) atom. All B(2)-Bi(1) bond lengths are 2.74 Å. The B(2)-P(1) bond length is 1.90 Å. Bi(1) is bonded in a 7-coordinate geometry to one B(1), three equivalent B(2), and three equivalent P(1) atoms. All Bi(1)-P(1) bond lengths are 2.74 Å. P(1) is bonded in a distorted single-bond geometry to one B(2) and three equivalent Bi(1) atoms.