data_[Na36Ta12Si36Ge12O144]
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
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.4475]
_cell_length_b [8.8812]
_cell_length_c [22.0152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3TaSi3GeO12]
_chemical_formula_sum '[Na36 Ta12 Si36 Ge12 O144]'
_cell_volume [3020.3066]
_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  0.0036  0.3667  0.2521  1
  Na  Na1  4  0.0042  0.0154  0.0043  1
  Na  Na2  4  0.0156  0.3103  0.5855  1
  Na  Na3  4  0.1669  0.4987  0.6710  1
  Na  Na4  4  0.1676  0.1337  0.4187  1
  Na  Na5  4  0.3157  0.3170  0.2516  1
  Na  Na6  4  0.3340  0.0006  0.3377  1
  Na  Na7  4  0.3341  0.3668  0.5849  1
  Na  Na8  4  0.3491  0.3109  0.9185  1
  Ta  Ta9  4  0.0001  0.0022  0.8560  1
  Ta  Ta10  4  0.1660  0.4953  0.0227  1
  Ta  Ta11  4  0.3318  0.0019  0.6893  1
  Si  Si12  4  0.0062  0.2868  0.7477  1
  Si  Si13  4  0.0204  0.3667  0.4153  1
  Si  Si14  4  0.1421  0.1455  0.2494  1
  Si  Si15  4  0.1690  0.2134  0.9149  1
  Si  Si16  4  0.1868  0.1334  0.5806  1
  Si  Si17  4  0.3095  0.3502  0.4158  1
  Si  Si18  4  0.3353  0.2868  0.0824  1
  Si  Si19  4  0.3534  0.3615  0.7491  1
  Si  Si20  4  0.4757  0.1495  0.5832  1
  Ge  Ge21  4  0.0013  0.0018  0.1462  1
  Ge  Ge22  4  0.1669  0.4973  0.8128  1
  Ge  Ge23  4  0.3349  0.0043  0.4795  1
  O  O24  4  0.0112  0.1800  0.4112  1
  O  O25  4  0.0173  0.1860  0.6861  1
  O  O26  4  0.0661  0.4339  0.3542  1
  O  O27  4  0.0700  0.4356  0.0783  1
  O  O28  4  0.0761  0.1216  0.1921  1
  O  O29  4  0.0833  0.3846  0.4752  1
  O  O30  4  0.0842  0.1022  0.9120  1
  O  O31  4  0.0887  0.3997  0.7551  1
  O  O32  4  0.0893  0.0660  0.5884  1
  O  O33  4  0.1002  0.0719  0.3108  1
  O  O34  4  0.1520  0.3183  0.9747  1
  O  O35  4  0.1532  0.3294  0.2550  1
  O  O36  4  0.1784  0.3199  0.5772  1
  O  O37  4  0.1899  0.3234  0.8575  1
  O  O38  4  0.2312  0.0647  0.5195  1
  O  O39  4  0.2404  0.0746  0.2452  1
  O  O40  4  0.2477  0.3745  0.3555  1
  O  O41  4  0.2508  0.3997  0.0794  1
  O  O42  4  0.2528  0.1126  0.6387  1
  O  O43  4  0.2553  0.1069  0.9217  1
  O  O44  4  0.2596  0.4436  0.7561  1
  O  O45  4  0.2663  0.4321  0.4756  1
  O  O46  4  0.3163  0.1676  0.4221  1
  O  O47  4  0.3197  0.1847  0.1430  1
  O  O48  4  0.3489  0.1769  0.7450  1
  O  O49  4  0.3537  0.1814  0.0226  1
  O  O50  4  0.3967  0.4417  0.6890  1
  O  O51  4  0.4038  0.4354  0.4115  1
  O  O52  4  0.4106  0.1240  0.5253  1
  O  O53  4  0.4161  0.3829  0.8091  1
  O  O54  4  0.4175  0.1073  0.2447  1
  O  O55  4  0.4217  0.3946  0.0877  1
  O  O56  4  0.4226  0.0664  0.9223  1
  O  O57  4  0.4348  0.0678  0.6437  1
  O  O58  4  0.4820  0.3320  0.5901  1
  O  O59  4  0.4843  0.3231  0.3055  1
]