data_GaB4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB4P
_chemical_formula_sum   'Ga1 B4 P1'
_cell_volume   53.98
_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
  Ga  Ga4  1  0.5  0.5  0.5  1.0
  B  B0  1  0.76  0.76  0.24  1.0
  B  B1  1  0.76  0.24  0.76  1.0
  B  B2  1  0.24  0.76  0.76  1.0
  B  B3  1  0.24  0.24  0.24  1.0
  P  P5  1  0.0  0.0  0.0  1.0

data_GaB4P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaB4P
_chemical_formula_sum   'Ga3 B12 P3'
_cell_volume   161.94
_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
  Ga  Ga0  3  0.0  0.0  0.5  1.0
  B  B1  9  0.01  0.5  0.75  1.0
  B  B2  3  0.0  0.0  0.76  1.0
  P  P3  3  0.0  0.0  -0.0  1.0

Ga B B B B P
Ga B B B B P 0 3 o o o 0 2 o o o 0 1 o o o 0 4 + o o 0 4 o + o 0 4 o o + 1 5 + + o 1 4 + o o 1 4 o + o 2 5 + o + 2 4 + o o 2 4 o o + 3 5 o + + 3 4 o + o 3 4 o o + 4 5 o o o 
GaB4P crystallizes in the trigonal R3m space group. Ga(1) is bonded in a 3-coordinate geometry to one B(2) and three equivalent B(1) atoms. The Ga(1)-B(2) bond length is 2.65 Å. All Ga(1)-B(1) bond lengths are 1.53 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to one Ga(1), two equivalent B(2), and one P(1) atom. Both B(1)-B(2) bond lengths are 2.12 Å. The B(1)-P(1) bond length is 1.47 Å. In the second B site, B(2) is bonded to one Ga(1), six equivalent B(1), and one P(1) atom to form corner-sharing BGaB6P hexagonal bipyramids. The B(2)-P(1) bond length is 2.54 Å. P(1) is bonded in a 3-coordinate geometry to one B(2) and three equivalent B(1) atoms.