data_[Na24Ti24Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [15.1156]
_cell_length_b [8.7618]
_cell_length_c [22.2723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na2Ti2Si(PO6)2]
_chemical_formula_sum '[Na24 Ti24 Si12 P24 O144]'
_cell_volume [2949.7386]
_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  0.0009  0.0002  1.0000  1
  Na  Na1  4  0.1505  0.1823  0.4169  1
  Na  Na2  4  0.1671  0.5000  0.8334  1
  Na  Na3  4  0.1826  0.1824  0.7501  1
  Na  Na4  4  0.3362  0.0086  0.1667  1
  Na  Na5  4  0.3496  0.3167  0.5837  1
  Ti  Ti6  4  0.0027  0.0021  0.6478  1
  Ti  Ti7  4  0.1647  0.4948  0.9810  1
  Ti  Ti8  4  0.1698  0.4996  0.6860  1
  Ti  Ti9  4  0.3282  0.0029  0.0197  1
  Ti  Ti10  4  0.3347  0.0078  0.8140  1
  Ti  Ti11  4  0.4957  0.4960  0.3533  1
  Si  Si12  4  0.1639  0.2097  0.5825  1
  Si  Si13  4  0.1873  0.1500  0.9161  1
  Si  Si14  4  0.3568  0.3567  0.7491  1
  P  P15  4  0.0230  0.3568  0.0841  1
  P  P16  4  0.1439  0.1481  0.2509  1
  P  P17  4  0.3109  0.3534  0.0832  1
  P  P18  4  0.3343  0.2877  0.4168  1
  P  P19  4  0.4766  0.1434  0.9173  1
  P  P20  4  0.4979  0.2103  0.2500  1
  O  O21  4  0.0113  0.1813  0.0896  1
  O  O22  4  0.0181  0.1862  0.8053  1
  O  O23  4  0.0674  0.4290  0.1394  1
  O  O24  4  0.0708  0.4257  0.4226  1
  O  O25  4  0.0783  0.1010  0.5911  1
  O  O26  4  0.0818  0.3838  0.0277  1
  O  O27  4  0.0827  0.3878  0.7429  1
  O  O28  4  0.0876  0.1178  0.3076  1
  O  O29  4  0.0928  0.0624  0.9090  1
  O  O30  4  0.1016  0.0666  0.1955  1
  O  O31  4  0.1517  0.3169  0.5232  1
  O  O32  4  0.1527  0.3213  0.2426  1
  O  O33  4  0.1790  0.3324  0.9245  1
  O  O34  4  0.1842  0.3181  0.6417  1
  O  O35  4  0.2353  0.0631  0.9734  1
  O  O36  4  0.2359  0.0707  0.2565  1
  O  O37  4  0.2495  0.1146  0.8571  1
  O  O38  4  0.2500  0.3870  0.4232  1
  O  O39  4  0.2522  0.3818  0.1393  1
  O  O40  4  0.2559  0.1089  0.5761  1
  O  O41  4  0.2566  0.4291  0.7432  1
  O  O42  4  0.2678  0.4322  0.0282  1
  O  O43  4  0.3171  0.1845  0.3618  1
  O  O44  4  0.3214  0.1797  0.0763  1
  O  O45  4  0.3430  0.1712  0.7566  1
  O  O46  4  0.3496  0.1910  0.4744  1
  O  O47  4  0.4018  0.4324  0.0899  1
  O  O48  4  0.4037  0.4342  0.8077  1
  O  O49  4  0.4154  0.1111  0.2573  1
  O  O50  4  0.4163  0.3855  0.6893  1
  O  O51  4  0.4171  0.3900  0.4100  1
  O  O52  4  0.4187  0.1142  0.9727  1
  O  O53  4  0.4299  0.0733  0.5765  1
  O  O54  4  0.4341  0.0698  0.8608  1
  O  O55  4  0.4851  0.3142  0.1943  1
  O  O56  4  0.4890  0.3184  0.9099  1
]