data_[Nb24Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [15.3434]
_cell_length_b [8.8584]
_cell_length_c [22.8154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nb2Si(PO6)2]
_chemical_formula_sum '[Nb24 Si12 P24 O144]'
_cell_volume [3101.0333]
_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
[
  Nb  Nb0  4  0.1652  0.4999  0.6911  1
  Nb  Nb1  4  0.1659  0.4969  0.9754  1
  Nb  Nb2  4  0.3323  0.0025  0.3089  1
  Nb  Nb3  4  0.3342  0.0050  0.5246  1
  Nb  Nb4  4  0.4967  0.4998  0.8578  1
  Nb  Nb5  4  0.4978  0.4956  0.6422  1
  Si  Si6  4  0.0250  0.3585  0.0834  1
  Si  Si7  4  0.3326  0.2844  0.4167  1
  Si  Si8  4  0.3572  0.3571  0.7501  1
  P  P9  4  0.0001  0.2828  0.7502  1
  P  P10  4  0.1413  0.1411  0.2499  1
  P  P11  4  0.1658  0.2174  0.5834  1
  P  P12  4  0.1917  0.1404  0.9164  1
  P  P13  4  0.3077  0.3573  0.0832  1
  P  P14  4  0.4748  0.1413  0.9167  1
  O  O15  4  0.0140  0.1762  0.0933  1
  O  O16  4  0.0159  0.1847  0.8049  1
  O  O17  4  0.0664  0.4280  0.4265  1
  O  O18  4  0.0705  0.4329  0.1407  1
  O  O19  4  0.0808  0.3857  0.7407  1
  O  O20  4  0.0850  0.3893  0.0260  1
  O  O21  4  0.0854  0.1164  0.5939  1
  O  O22  4  0.0857  0.1148  0.3046  1
  O  O23  4  0.1002  0.0683  0.1949  1
  O  O24  4  0.1009  0.0717  0.9058  1
  O  O25  4  0.1522  0.3162  0.5288  1
  O  O26  4  0.1533  0.3129  0.2399  1
  O  O27  4  0.1812  0.3134  0.9260  1
  O  O28  4  0.1828  0.3154  0.6381  1
  O  O29  4  0.2332  0.0717  0.2592  1
  O  O30  4  0.2335  0.0714  0.9713  1
  O  O31  4  0.2456  0.1122  0.5734  1
  O  O32  4  0.2489  0.3928  0.4281  1
  O  O33  4  0.2492  0.1154  0.8617  1
  O  O34  4  0.2514  0.3863  0.1378  1
  O  O35  4  0.2618  0.4314  0.7386  1
  O  O36  4  0.2671  0.4318  0.0285  1
  O  O37  4  0.3180  0.1864  0.0728  1
  O  O38  4  0.3186  0.1781  0.3595  1
  O  O39  4  0.3467  0.1770  0.7615  1
  O  O40  4  0.3475  0.1760  0.4739  1
  O  O41  4  0.4001  0.4247  0.0933  1
  O  O42  4  0.4046  0.4335  0.8071  1
  O  O43  4  0.4177  0.1173  0.9715  1
  O  O44  4  0.4190  0.3903  0.6930  1
  O  O45  4  0.4193  0.3895  0.4068  1
  O  O46  4  0.4202  0.1135  0.2602  1
  O  O47  4  0.4285  0.0668  0.5733  1
  O  O48  4  0.4330  0.0700  0.8622  1
  O  O49  4  0.4853  0.3140  0.1954  1
  O  O50  4  0.4880  0.3131  0.9068  1
]