data_[Na36Y12Ti12Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.8525]
_cell_length_b [9.2041]
_cell_length_c [22.4065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3YTiSi(PO6)2]
_chemical_formula_sum '[Na36 Y12 Ti12 Si12 P24 O144]'
_cell_volume [3269.2499]
_cell_formula_units_Z [12]
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
[
  Na  Na0  4  0.1572  0.1876  0.5847  1
  Na  Na1  4  0.1639  0.4760  0.1689  1
  Na  Na2  4  0.1661  0.1364  0.9136  1
  Na  Na3  4  0.3219  0.3171  0.7441  1
  Na  Na4  4  0.3261  0.0035  0.8362  1
  Na  Na5  4  0.3301  0.3703  0.0804  1
  Na  Na6  4  0.3495  0.3297  0.4173  1
  Na  Na7  4  0.4965  0.4935  0.0021  1
  Na  Na8  4  0.4987  0.1377  0.2491  1
  Y  Y9  4  0.0030  0.0135  0.3509  1
  Y  Y10  4  0.1630  0.4999  0.0173  1
  Y  Y11  4  0.3282  0.0014  0.1853  1
  Ti  Ti12  4  0.0017  0.0111  0.1497  1
  Ti  Ti13  4  0.1682  0.4888  0.8167  1
  Ti  Ti14  4  0.3393  0.0025  0.4827  1
  Si  Si15  4  0.1467  0.1585  0.7526  1
  Si  Si16  4  0.3144  0.3385  0.9202  1
  Si  Si17  4  0.3410  0.2978  0.5843  1
  P  P18  4  0.0082  0.2994  0.2473  1
  P  P19  4  0.0131  0.3613  0.9127  1
  P  P20  4  0.1755  0.2071  0.4176  1
  P  P21  4  0.1809  0.1369  0.0794  1
  P  P22  4  0.3503  0.3655  0.2502  1
  P  P23  4  0.4771  0.1597  0.0850  1
  O  O24  4  0.0128  0.1865  0.1933  1
  O  O25  4  0.0600  0.4237  0.8561  1
  O  O26  4  0.0680  0.3943  0.5789  1
  O  O27  4  0.0686  0.3838  0.9672  1
  O  O28  4  0.0829  0.1088  0.6947  1
  O  O29  4  0.0919  0.3828  0.2515  1
  O  O30  4  0.0966  0.0495  0.0860  1
  O  O31  4  0.1041  0.0944  0.4119  1
  O  O32  4  0.1070  0.1061  0.8143  1
  O  O33  4  0.1482  0.3431  0.7550  1
  O  O34  4  0.1647  0.2809  0.4784  1
  O  O35  4  0.1651  0.3003  0.0747  1
  O  O36  4  0.1780  0.3246  0.3667  1
  O  O37  4  0.2290  0.0689  0.0245  1
  O  O38  4  0.2359  0.1179  0.1350  1
  O  O39  4  0.2442  0.1061  0.7498  1
  O  O40  4  0.2460  0.3858  0.8617  1
  O  O41  4  0.2600  0.4069  0.5792  1
  O  O42  4  0.2615  0.1235  0.4168  1
  O  O43  4  0.2630  0.4440  0.2533  1
  O  O44  4  0.2726  0.4048  0.9792  1
  O  O45  4  0.3147  0.1593  0.9230  1
  O  O46  4  0.3235  0.2059  0.6438  1
  O  O47  4  0.3426  0.2007  0.2439  1
  O  O48  4  0.3473  0.1791  0.5260  1
  O  O49  4  0.3994  0.3936  0.3078  1
  O  O50  4  0.3995  0.4361  0.1957  1
  O  O51  4  0.4044  0.4182  0.9139  1
  O  O52  4  0.4166  0.1060  0.0321  1
  O  O53  4  0.4262  0.0603  0.4193  1
  O  O54  4  0.4276  0.3990  0.5902  1
  O  O55  4  0.4348  0.0926  0.7396  1
  O  O56  4  0.4413  0.1062  0.1441  1
  O  O57  4  0.4766  0.3288  0.0832  1
  O  O58  4  0.4854  0.2889  0.8022  1
  O  O59  4  0.4968  0.3038  0.4083  1
]