data_[Na3Ta3Ge9P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [8.4539]
_cell_length_b [8.4539]
_cell_length_c [21.9616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [NaTaGe3(PO4)6]
_chemical_formula_sum '[Na3 Ta3 Ge9 P18 O72]'
_cell_volume [1359.2740]
_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  0.9966  1
  Na  Na1  1  0.6667  0.3333  0.3326  1
  Na  Na2  1  0.6667  0.3333  0.8343  1
  Ta  Ta3  1  0.0000  0.0000  0.1449  1
  Ta  Ta4  1  0.0000  0.0000  0.6440  1
  Ta  Ta5  1  0.3333  0.6667  0.5226  1
  Ge  Ge6  1  0.0000  0.0000  0.3545  1
  Ge  Ge7  1  0.0000  0.0000  0.8541  1
  Ge  Ge8  1  0.3333  0.6667  0.0210  1
  Ge  Ge9  1  0.3333  0.6667  0.3117  1
  Ge  Ge10  1  0.3333  0.6667  0.8129  1
  Ge  Ge11  1  0.6667  0.3333  0.1866  1
  Ge  Ge12  1  0.6667  0.3333  0.4767  1
  Ge  Ge13  1  0.6667  0.3333  0.6899  1
  Ge  Ge14  1  0.6667  0.3333  0.9778  1
  P  P15  3  0.0002  0.2930  0.2526  1
  P  P16  3  0.0012  0.7085  0.7530  1
  P  P17  3  0.0418  0.6677  0.4138  1
  P  P18  3  0.0479  0.3808  0.9166  1
  P  P19  3  0.3910  0.3438  0.0814  1
  P  P20  3  0.3939  0.0605  0.5833  1
  O  O21  3  0.0265  0.8389  0.4069  1
  O  O22  3  0.0280  0.1882  0.9098  1
  O  O23  3  0.0317  0.2048  0.1950  1
  O  O24  3  0.0320  0.8269  0.6953  1
  O  O25  3  0.1263  0.6251  0.3585  1
  O  O26  3  0.1280  0.4996  0.8592  1
  O  O27  3  0.1316  0.5009  0.5753  1
  O  O28  3  0.1425  0.6322  0.0736  1
  O  O29  3  0.1600  0.6985  0.4716  1
  O  O30  3  0.1661  0.4604  0.9742  1
  O  O31  3  0.1719  0.4788  0.2598  1
  O  O32  3  0.1721  0.6930  0.7601  1
  O  O33  3  0.1976  0.1703  0.0894  1
  O  O34  3  0.2018  0.0359  0.5915  1
  O  O35  3  0.2073  0.1657  0.8087  1
  O  O36  3  0.2079  0.0421  0.3080  1
  O  O37  3  0.4654  0.2960  0.0245  1
  O  O38  3  0.4680  0.1727  0.5251  1
  O  O39  3  0.4812  0.3086  0.7448  1
  O  O40  3  0.4819  0.1732  0.2434  1
  O  O41  3  0.5028  0.3739  0.1401  1
  O  O42  3  0.5058  0.1451  0.9230  1
  O  O43  3  0.5059  0.3578  0.4220  1
  O  O44  3  0.5060  0.1347  0.6416  1
]