data_[Al4P12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.0640]
_cell_length_b [6.3956]
_cell_length_c [9.3760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Al(PO3)3]
_chemical_formula_sum '[Al4 P12 O36]'
_cell_volume [631.6717]
_cell_formula_units_Z [4]
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  4  0.2493  0.2581  0.4976  1
  P  P1  4  0.1142  0.0915  0.6739  1
  P  P2  4  0.3830  0.6009  0.8193  1
  P  P3  4  0.4943  0.0410  0.2396  1
  O  O4  4  0.0100  0.0316  0.0007  1
  O  O5  4  0.0360  0.2958  0.6544  1
  O  O6  4  0.1071  0.4362  0.3979  1
  O  O7  4  0.1506  0.0313  0.3336  1
  O  O8  4  0.2179  0.8485  0.1576  1
  O  O9  4  0.2773  0.3752  0.3380  1
  O  O10  4  0.3563  0.4688  0.6693  1
  O  O11  4  0.3955  0.0942  0.5910  1
  O  O12  4  0.4261  0.1719  0.3052  1
]