data_[Al4P12C12N4O36]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8364]
_cell_length_b [9.1852]
_cell_length_c [14.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlP3C3NO9]
_chemical_formula_sum '[Al4 P12 C12 N4 O36]'
_cell_volume [1039.7965]
_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  0.0413  0.0686  0.7698  1
  P  P1  4  0.0311  0.1688  0.4156  1
  P  P2  4  0.2689  0.1644  0.2537  1
  P  P3  4  0.2712  0.7083  0.4077  1
  C  C4  4  0.1599  0.7074  0.0710  1
  C  C5  4  0.2346  0.7459  0.0154  1
  C  C6  4  0.4951  0.1509  0.3177  1
  N  N7  4  0.3474  0.6872  0.1168  1
  O  O8  4  0.0308  0.5504  0.1665  1
  O  O9  4  0.0674  0.1886  0.8782  1
  O  O10  4  0.1458  0.6829  0.8269  1
  O  O11  4  0.1467  0.0392  0.2255  1
  O  O12  4  0.1644  0.1254  0.5254  1
  O  O13  4  0.2077  0.1832  0.7503  1
  O  O14  4  0.2124  0.5521  0.3740  1
  O  O15  4  0.4114  0.1315  0.2099  1
  O  O16  4  0.4633  0.7381  0.4549  1
]