data_Al3Si5P8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si5P8
_chemical_formula_sum   'Al3 Si5 P8'
_cell_volume   252.99
_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  0.16  0.16  1.0
  Al  Al1  1  0.16  0.0  0.16  1.0
  Al  Al2  1  0.16  0.16  0.0  1.0
  Si  Si11  1  0.0  0.0  0.0  1.0
  Si  Si12  1  0.35  0.35  0.97  1.0
  Si  Si13  1  0.97  0.97  0.97  1.0
  Si  Si14  1  0.97  0.35  0.35  1.0
  Si  Si15  1  0.35  0.97  0.35  1.0
  P  P3  1  0.16  0.16  0.16  1.0
  P  P4  1  0.16  0.0  0.0  1.0
  P  P5  1  0.0  0.16  0.0  1.0
  P  P6  1  0.0  0.0  0.16  1.0
  P  P7  1  0.45  0.45  0.88  1.0
  P  P8  1  0.88  0.88  0.88  1.0
  P  P9  1  0.88  0.45  0.45  1.0
  P  P10  1  0.45  0.88  0.45  1.0

data_Al3Si5P8
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   10.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al3Si5P8
_chemical_formula_sum   'Al9 Si15 P24'
_cell_volume   758.98
_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
  Al  Al0  9  0.05  0.11  0.11  1.0
  Si  Si1  9  0.08  0.54  0.89  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Si  Si3  3  0.0  0.0  0.97  1.0
  P  P4  9  0.11  0.05  0.05  1.0
  P  P5  9  0.19  0.38  0.26  1.0
  P  P6  3  0.0  0.0  0.16  1.0
  P  P7  3  0.0  0.0  0.88  1.0

Al Al Al Si Si Si Si Si P P P P P P P P
Al Al Al Si Si Si Si Si P P P P P P P P 0 11 o o o 0 10 o o o 0 8 o o o 1 11 o o o 1 9 o o o 1 8 o o o 2 10 o o o 2 9 o o o 2 8 o o o 3 5 - - - 3 9 o o o 3 10 o o o 3 11 o o o 4 12 o o o 5 13 o o o 6 14 o o o 7 15 o o o 