data_Al2P3(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2P3(HO3)3
_chemical_formula_sum   'Al4 P6 H6 O18'
_cell_volume   396.33
_cell_formula_units_Z   2
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  0.99  0.3  0.2  1.0
  Al  Al1  1  0.0  0.61  0.79  1.0
  Al  Al2  1  0.0  0.61  0.98  1.0
  Al  Al3  1  0.99  0.3  0.39  1.0
  P  P4  1  0.65  0.75  0.8  1.0
  P  P5  1  0.94  0.41  0.39  1.0
  P  P6  1  0.29  0.57  0.8  1.0
  P  P7  1  0.7  0.34  0.39  1.0
  P  P8  1  0.34  0.17  0.39  1.0
  P  P9  1  0.05  0.51  0.8  1.0
  H  H10  1  0.62  0.09  0.8  1.0
  H  H11  1  0.24  0.78  0.39  1.0
  H  H12  1  0.39  0.22  0.39  1.0
  H  H13  1  0.6  0.69  0.8  1.0
  H  H14  1  0.76  0.14  0.8  1.0
  H  H15  1  0.37  0.83  0.39  1.0
  O  O16  1  0.61  0.62  0.8  1.0
  O  O17  1  0.04  0.57  0.39  1.0
  O  O18  1  0.58  0.96  0.39  1.0
  O  O19  1  0.41  0.96  0.8  1.0
  O  O20  1  0.52  0.83  0.1  1.0
  O  O21  1  0.44  0.97  0.51  1.0
  O  O22  1  0.09  0.78  0.51  1.0
  O  O23  1  0.9  0.13  0.1  1.0
  O  O24  1  0.55  0.95  0.1  1.0
  O  O25  1  0.47  0.08  0.51  1.0
  O  O26  1  0.47  0.08  0.08  1.0
  O  O27  1  0.55  0.95  0.67  1.0
  O  O28  1  0.9  0.13  0.67  1.0
  O  O29  1  0.09  0.78  0.08  1.0
  O  O30  1  0.44  0.97  0.08  1.0
  O  O31  1  0.52  0.83  0.67  1.0
  O  O32  1  0.38  0.3  0.39  1.0
  O  O33  1  0.95  0.34  0.8  1.0

data_Al2P3(HO3)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.18
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2P3(HO3)3
_chemical_formula_sum   'Al4 P6 H6 O18'
_cell_volume   396.33
_cell_formula_units_Z   2
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  2  0.11  0.5  0.85  1.0
  Al  Al1  2  0.3  0.5  0.85  1.0
  P  P2  2  0.3  0.44  0.95  1.0
  P  P3  2  0.3  0.2  0.88  1.0
  P  P4  2  0.3  0.84  0.71  1.0
  H  H5  2  0.3  0.74  0.32  1.0
  H  H6  2  0.3  0.9  0.77  1.0
  H  H7  2  0.3  0.88  0.37  1.0
  O  O8  2  0.01  0.03  0.38  1.0
  O  O9  2  0.01  0.06  0.49  1.0
  O  O10  2  0.01  0.4  0.68  1.0
  O  O11  2  0.3  0.09  0.5  1.0
  O  O12  2  0.3  0.55  0.12  1.0
  O  O13  2  0.3  0.88  0.84  1.0
  O  O14  2  0.42  0.6  0.32  1.0
  O  O15  2  0.42  0.94  0.51  1.0
  O  O16  2  0.42  0.97  0.62  1.0

Al Al Al Al P P P P P P H H H H H H O O O O O O O O O O O O O O O O O O
Al Al Al Al P P P P P P H H H H H H O O O O O O O O O O O O O O O O O O 0 23 o o o 0 3 o o o 1 9 o o o 1 2 o o o 2 29 o o + 3 5 o o o 4 13 o o o 5 17 + o o 5 7 o o o 6 9 o o o 8 12 o o o 9 33 - o o 10 14 o o o 10 19 o - o 11 15 o o o 11 22 o o o 12 32 o o o 13 16 o o o 14 28 o o o 15 18 o o o 17 22 o o o 18 21 o o o 19 27 o o o 20 24 o o o 21 25 o + o 26 30 o - o 27 31 o o o 28 33 o o o 