data_[Al12P12C16N4O52]
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 [8.6849]
_cell_length_b [17.6408]
_cell_length_c [10.5408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al3P3C4NO13]
_chemical_formula_sum '[Al12 P12 C16 N4 O52]'
_cell_volume [1370.9567]
_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  0.0245  0.6120  0.1656  1
  Al  Al1  4  0.2318  0.7022  0.7882  1
  Al  Al2  4  0.3254  0.1728  0.8119  1
  P  P3  4  0.0228  0.5732  0.8664  1
  P  P4  4  0.2455  0.6638  0.4975  1
  P  P5  4  0.3248  0.2110  0.5308  1
  C  C6  4  0.0754  0.0191  0.0252  1
  C  C7  4  0.2241  0.0521  0.0864  1
  C  C8  4  0.4711  0.0497  0.3277  1
  C  C9  4  0.4999  0.0175  0.4480  1
  N  N10  4  0.3817  0.0671  0.1963  1
  O  O11  4  0.0464  0.0108  0.3454  1
  O  O12  4  0.0951  0.5894  0.0334  1
  O  O13  4  0.1307  0.6063  0.3704  1
  O  O14  4  0.1367  0.6185  0.8212  1
  O  O15  4  0.1441  0.7058  0.2012  1
  O  O16  4  0.1810  0.0941  0.7334  1
  O  O17  4  0.1935  0.6594  0.6151  1
  O  O18  4  0.2084  0.7454  0.4329  1
  O  O19  4  0.2092  0.1428  0.4391  1
  O  O20  4  0.2651  0.2184  0.9278  1
  O  O21  4  0.2962  0.2294  0.6614  1
  O  O22  4  0.4491  0.6423  0.5716  1
  O  O23  4  0.4751  0.6923  0.9060  1
]