data_[Na12Zr12Ta12Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [15.3754]
_cell_length_b [8.8929]
_cell_length_c [23.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaZrTaSi(PO6)2]
_chemical_formula_sum '[Na12 Zr12 Ta12 Si12 P24 O144]'
_cell_volume [3163.9712]
_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  0.1674  0.4976  0.8350  1
  Na  Na1  4  0.3314  0.0018  0.6682  1
  Na  Na2  4  0.4975  0.4993  0.5017  1
  Zr  Zr3  4  0.0010  0.0006  0.1460  1
  Zr  Zr4  4  0.1704  0.4988  0.9793  1
  Zr  Zr5  4  0.3313  0.0060  0.8126  1
  Ta  Ta6  4  0.1682  0.4943  0.6875  1
  Ta  Ta7  4  0.3341  0.0013  0.0207  1
  Ta  Ta8  4  0.5000  0.4983  0.3541  1
  Si  Si9  4  0.1440  0.1462  0.7499  1
  Si  Si10  4  0.3121  0.3517  0.5830  1
  Si  Si11  4  0.3350  0.2909  0.9168  1
  P  P12  4  0.0026  0.2884  0.2503  1
  P  P13  4  0.0219  0.3594  0.5831  1
  P  P14  4  0.1687  0.2124  0.0835  1
  P  P15  4  0.1881  0.1413  0.4167  1
  P  P16  4  0.3551  0.3576  0.2501  1
  P  P17  4  0.4762  0.1464  0.4165  1
  O  O18  4  0.0095  0.1898  0.5906  1
  O  O19  4  0.0141  0.1841  0.3044  1
  O  O20  4  0.0662  0.4313  0.6378  1
  O  O21  4  0.0663  0.4212  0.9244  1
  O  O22  4  0.0757  0.3872  0.5292  1
  O  O23  4  0.0821  0.1117  0.8070  1
  O  O24  4  0.0863  0.3842  0.2426  1
  O  O25  4  0.0898  0.1081  0.0898  1
  O  O26  4  0.0974  0.0643  0.4090  1
  O  O27  4  0.1000  0.0760  0.6932  1
  O  O28  4  0.1512  0.3320  0.7420  1
  O  O29  4  0.1538  0.3071  0.0295  1
  O  O30  4  0.1737  0.3102  0.4239  1
  O  O31  4  0.1813  0.3134  0.1378  1
  O  O32  4  0.2335  0.0706  0.4709  1
  O  O33  4  0.2402  0.0749  0.7550  1
  O  O34  4  0.2435  0.1168  0.3628  1
  O  O35  4  0.2487  0.3890  0.6401  1
  O  O36  4  0.2501  0.3971  0.9216  1
  O  O37  4  0.2519  0.1130  0.0754  1
  O  O38  4  0.2632  0.4312  0.2423  1
  O  O39  4  0.2668  0.4248  0.5273  1
  O  O40  4  0.3189  0.1680  0.5749  1
  O  O41  4  0.3210  0.1875  0.8607  1
  O  O42  4  0.3445  0.1889  0.2575  1
  O  O43  4  0.3482  0.1794  0.9738  1
  O  O44  4  0.3990  0.4311  0.3045  1
  O  O45  4  0.4075  0.4238  0.5895  1
  O  O46  4  0.4095  0.3878  0.1962  1
  O  O47  4  0.4178  0.1158  0.4711  1
  O  O48  4  0.4229  0.3951  0.9082  1
  O  O49  4  0.4247  0.1065  0.7573  1
  O  O50  4  0.4304  0.0654  0.0762  1
  O  O51  4  0.4347  0.0807  0.3624  1
  O  O52  4  0.4840  0.3212  0.4094  1
  O  O53  4  0.4866  0.3074  0.6963  1
]