data_[Na12Y4Sc4P12O48]
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
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1888]
_cell_length_b [9.2892]
_cell_length_c [13.1054]
_cell_angle_alpha [90.3602]
_cell_angle_beta [90.0368]
_cell_angle_gamma [90.1661]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3YSc(PO4)3]
_chemical_formula_sum '[Na12 Y4 Sc4 P12 O48]'
_cell_volume [1118.6026]
_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
[
  Na  Na0  1  0.0747  0.6140  0.8166  1
  Na  Na1  1  0.0842  0.2608  0.5015  1
  Na  Na2  1  0.2307  0.2469  0.2436  1
  Na  Na3  1  0.2710  0.2413  0.7474  1
  Na  Na4  1  0.4101  0.2523  0.0043  1
  Na  Na5  1  0.4278  0.6070  0.3152  1
  Na  Na6  1  0.5760  0.1176  0.3087  1
  Na  Na7  1  0.5983  0.7588  0.0005  1
  Na  Na8  1  0.7313  0.7412  0.7480  1
  Na  Na9  1  0.7706  0.7456  0.2436  1
  Na  Na10  1  0.9078  0.7498  0.5036  1
  Na  Na11  1  0.9231  0.1115  0.8159  1
  Y  Y12  1  0.2392  0.5493  0.1035  1
  Y  Y13  1  0.2510  0.9560  0.3973  1
  Y  Y14  1  0.2601  0.5490  0.6046  1
  Y  Y15  1  0.7396  0.0477  0.6028  1
  Sc  Sc16  1  0.2490  0.9541  0.8991  1
  Sc  Sc17  1  0.7489  0.4539  0.3980  1
  Sc  Sc18  1  0.7512  0.4545  0.8998  1
  Sc  Sc19  1  0.7583  0.0490  0.1017  1
  P  P20  1  0.0449  0.2477  0.9975  1
  P  P21  1  0.0959  0.5916  0.3549  1
  P  P22  1  0.1020  0.9060  0.6568  1
  P  P23  1  0.4018  0.6008  0.8573  1
  P  P24  1  0.4030  0.9064  0.1478  1
  P  P25  1  0.4488  0.2560  0.4946  1
  P  P26  1  0.5600  0.7472  0.4943  1
  P  P27  1  0.6003  0.1026  0.8600  1
  P  P28  1  0.6080  0.3990  0.1497  1
  P  P29  1  0.8942  0.4051  0.6530  1
  P  P30  1  0.8952  0.1026  0.3510  1
  P  P31  1  0.9463  0.7561  0.9962  1
  O  O32  1  0.0399  0.6538  0.0604  1
  O  O33  1  0.0483  0.8532  0.9312  1
  O  O34  1  0.0633  0.4172  0.6597  1
  O  O35  1  0.0637  0.1056  0.3452  1
  O  O36  1  0.1376  0.7432  0.6607  1
  O  O37  1  0.1394  0.1589  0.9204  1
  O  O38  1  0.1410  0.7524  0.3568  1
  O  O39  1  0.1465  0.5211  0.4554  1
  O  O40  1  0.1494  0.3231  0.0732  1
  O  O41  1  0.1556  0.9709  0.5547  1
  O  O42  1  0.1700  0.9910  0.7475  1
  O  O43  1  0.1742  0.5114  0.2673  1
  O  O44  1  0.3277  0.5196  0.7679  1
  O  O45  1  0.3390  0.9979  0.2360  1
  O  O46  1  0.3424  0.9611  0.0442  1
  O  O47  1  0.3432  0.3253  0.5725  1
  O  O48  1  0.3496  0.5258  0.9556  1
  O  O49  1  0.3532  0.7608  0.8607  1
  O  O50  1  0.3566  0.1787  0.4106  1
  O  O51  1  0.3691  0.7432  0.1593  1
  O  O52  1  0.4309  0.0960  0.8544  1
  O  O53  1  0.4384  0.4090  0.1551  1
  O  O54  1  0.4586  0.6447  0.5519  1
  O  O55  1  0.4667  0.8530  0.4312  1
  O  O56  1  0.5425  0.1454  0.5502  1
  O  O57  1  0.5491  0.3640  0.4378  1
  O  O58  1  0.5710  0.5969  0.8525  1
  O  O59  1  0.5721  0.9201  0.1511  1
  O  O60  1  0.6449  0.2358  0.1519  1
  O  O61  1  0.6461  0.2639  0.8613  1
  O  O62  1  0.6534  0.6615  0.4151  1
  O  O63  1  0.6539  0.0333  0.9604  1
  O  O64  1  0.6642  0.4651  0.0479  1
  O  O65  1  0.6649  0.8195  0.5717  1
  O  O66  1  0.6706  0.4835  0.2426  1
  O  O67  1  0.6738  0.0211  0.7705  1
  O  O68  1  0.8229  0.0256  0.2583  1
  O  O69  1  0.8284  0.4900  0.7446  1
  O  O70  1  0.8394  0.4655  0.5496  1
  O  O71  1  0.8412  0.8399  0.0676  1
  O  O72  1  0.8418  0.2604  0.3599  1
  O  O73  1  0.8470  0.0218  0.4487  1
  O  O74  1  0.8521  0.6660  0.9191  1
  O  O75  1  0.8609  0.2414  0.6587  1
  O  O76  1  0.9276  0.5869  0.3483  1
  O  O77  1  0.9334  0.9163  0.6635  1
  O  O78  1  0.9406  0.1451  0.0547  1
  O  O79  1  0.9505  0.3529  0.9333  1
]