data_[Na3Hf9Ta3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [8.8302]
_cell_length_b [8.8302]
_cell_length_c [22.9801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [NaHf3Ta(PO4)6]
_chemical_formula_sum '[Na3 Hf9 Ta3 P18 O72]'
_cell_volume [1551.7709]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.9986  1
  Na  Na1  1  0.6667  0.3333  0.3331  1
  Na  Na2  1  0.6667  0.3333  0.8340  1
  Hf  Hf3  1  0.0000  0.0000  0.3579  1
  Hf  Hf4  1  0.0000  0.0000  0.8543  1
  Hf  Hf5  1  0.3333  0.6667  0.0223  1
  Hf  Hf6  1  0.3333  0.6667  0.3090  1
  Hf  Hf7  1  0.3333  0.6667  0.8100  1
  Hf  Hf8  1  0.6667  0.3333  0.1865  1
  Hf  Hf9  1  0.6667  0.3333  0.4801  1
  Hf  Hf10  1  0.6667  0.3333  0.6865  1
  Hf  Hf11  1  0.6667  0.3333  0.9798  1
  Ta  Ta12  1  0.0000  0.0000  0.1471  1
  Ta  Ta13  1  0.0000  0.0000  0.6451  1
  Ta  Ta14  1  0.3333  0.6667  0.5214  1
  P  P15  3  0.0451  0.3788  0.9165  1
  P  P16  3  0.0474  0.6652  0.4164  1
  P  P17  3  0.2868  0.0017  0.2507  1
  P  P18  3  0.2871  0.2861  0.7496  1
  P  P19  3  0.3759  0.3313  0.0838  1
  P  P20  3  0.3764  0.0430  0.5833  1
  O  O21  3  0.0224  0.8292  0.6951  1
  O  O22  3  0.0228  0.1938  0.1956  1
  O  O23  3  0.0238  0.1945  0.9100  1
  O  O24  3  0.0299  0.8277  0.4097  1
  O  O25  3  0.1290  0.4905  0.8619  1
  O  O26  3  0.1309  0.6347  0.3628  1
  O  O27  3  0.1370  0.6476  0.0747  1
  O  O28  3  0.1411  0.4939  0.5714  1
  O  O29  3  0.1565  0.4620  0.9712  1
  O  O30  3  0.1617  0.4649  0.2572  1
  O  O31  3  0.1617  0.6961  0.7568  1
  O  O32  3  0.1626  0.6891  0.4715  1
  O  O33  3  0.1901  0.1657  0.0934  1
  O  O34  3  0.1924  0.0195  0.5952  1
  O  O35  3  0.2019  0.0314  0.3040  1
  O  O36  3  0.2038  0.1718  0.8034  1
  O  O37  3  0.4560  0.2958  0.0297  1
  O  O38  3  0.4574  0.1574  0.5296  1
  O  O39  3  0.4693  0.1635  0.2421  1
  O  O40  3  0.4694  0.3056  0.7412  1
  O  O41  3  0.4877  0.3580  0.1378  1
  O  O42  3  0.4907  0.1240  0.6371  1
  O  O43  3  0.4969  0.1393  0.9235  1
  O  O44  3  0.4970  0.3613  0.4253  1
]