data_[Na36Ca12Ta12Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  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 [16.0745]
_cell_length_b [9.2095]
_cell_length_c [22.3725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3CaTaSi(PO6)2]
_chemical_formula_sum '[Na36 Ca12 Ta12 Si12 P24 O144]'
_cell_volume [3311.9919]
_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  0.0037  0.3158  0.9094  1
  Na  Na1  4  0.0062  0.0107  0.4924  1
  Na  Na2  4  0.0118  0.3414  0.2442  1
  Na  Na3  4  0.1599  0.4876  0.8262  1
  Na  Na4  4  0.1795  0.1552  0.0812  1
  Na  Na5  4  0.3153  0.3294  0.2399  1
  Na  Na6  4  0.3260  0.0179  0.6591  1
  Na  Na7  4  0.3468  0.3526  0.9130  1
  Na  Na8  4  0.4800  0.1616  0.0739  1
  Ca  Ca9  4  0.0066  0.0003  0.8513  1
  Ca  Ca10  4  0.1668  0.4901  0.6848  1
  Ca  Ca11  4  0.3322  0.0065  0.5176  1
  Ta  Ta12  4  0.1687  0.4940  0.4811  1
  Ta  Ta13  4  0.3331  0.0027  0.3147  1
  Ta  Ta14  4  0.4977  0.4950  0.1485  1
  Si  Si15  4  0.3178  0.3601  0.0873  1
  Si  Si16  4  0.4865  0.1408  0.9210  1
  Si  Si17  4  0.4937  0.1955  0.2554  1
  P  P18  4  0.0236  0.3376  0.0846  1
  P  P19  4  0.1520  0.1355  0.2478  1
  P  P20  4  0.1570  0.2000  0.5843  1
  P  P21  4  0.1894  0.1629  0.9204  1
  P  P22  4  0.3246  0.2980  0.4154  1
  P  P23  4  0.3572  0.3410  0.7536  1
  O  O24  4  0.0272  0.1658  0.0851  1
  O  O25  4  0.0593  0.3959  0.1424  1
  O  O26  4  0.0633  0.4271  0.7487  1
  O  O27  4  0.0685  0.1203  0.5844  1
  O  O28  4  0.0761  0.4545  0.4217  1
  O  O29  4  0.0858  0.3856  0.0305  1
  O  O30  4  0.0950  0.1198  0.3004  1
  O  O31  4  0.0989  0.1182  0.9133  1
  O  O32  4  0.1050  0.0720  0.1897  1
  O  O33  4  0.1499  0.3135  0.5289  1
  O  O34  4  0.1658  0.2824  0.6412  1
  O  O35  4  0.1722  0.2971  0.2419  1
  O  O36  4  0.1936  0.3370  0.9187  1
  O  O37  4  0.2241  0.1144  0.9796  1
  O  O38  4  0.2245  0.0870  0.5765  1
  O  O39  4  0.2358  0.0480  0.2551  1
  O  O40  4  0.2395  0.3840  0.4214  1
  O  O41  4  0.2497  0.1114  0.8672  1
  O  O42  4  0.2624  0.4347  0.0284  1
  O  O43  4  0.2669  0.3839  0.1466  1
  O  O44  4  0.2724  0.4070  0.7443  1
  O  O45  4  0.3132  0.1917  0.3584  1
  O  O46  4  0.3363  0.1885  0.0811  1
  O  O47  4  0.3420  0.2081  0.4694  1
  O  O48  4  0.3546  0.1686  0.7534  1
  O  O49  4  0.3938  0.4094  0.4073  1
  O  O50  4  0.3948  0.3914  0.8117  1
  O  O51  4  0.3986  0.1105  0.2544  1
  O  O52  4  0.4104  0.4478  0.0924  1
  O  O53  4  0.4228  0.3812  0.7002  1
  O  O54  4  0.4258  0.0609  0.8631  1
  O  O55  4  0.4360  0.1058  0.5762  1
  O  O56  4  0.4378  0.1053  0.9805  1
  O  O57  4  0.4865  0.3247  0.1978  1
  O  O58  4  0.4959  0.3123  0.9143  1
  O  O59  4  0.4967  0.2797  0.3167  1
]