data_[Y12Ta12Si12S24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.8571]
_cell_length_b [9.1268]
_cell_length_c [22.9350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [YTaSi(SO6)2]
_chemical_formula_sum '[Y12 Ta12 Si12 S24 O144]'
_cell_volume [3319.2560]
_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
[
  Y  Y0  4  0.0050  0.0104  0.1359  1
  Y  Y1  4  0.1669  0.4969  0.8024  1
  Y  Y2  4  0.3345  0.0051  0.4688  1
  Ta  Ta3  4  0.0072  0.0044  0.8558  1
  Ta  Ta4  4  0.1636  0.4908  0.0225  1
  Ta  Ta5  4  0.3346  0.0018  0.6885  1
  Si  Si6  4  0.1488  0.1255  0.2495  1
  Si  Si7  4  0.1579  0.2166  0.9156  1
  Si  Si8  4  0.4791  0.1231  0.5823  1
  S  S9  4  0.0326  0.3368  0.4178  1
  S  S10  4  0.2008  0.1643  0.5839  1
  S  S11  4  0.3148  0.3816  0.4160  1
  S  S12  4  0.3212  0.2820  0.0843  1
  S  S13  4  0.3648  0.3413  0.7494  1
  S  S14  4  0.4841  0.2177  0.2500  1
  O  O15  4  0.0268  0.1713  0.4100  1
  O  O16  4  0.0513  0.3872  0.7614  1
  O  O17  4  0.0640  0.1269  0.9063  1
  O  O18  4  0.0677  0.4037  0.3658  1
  O  O19  4  0.0739  0.4650  0.0725  1
  O  O20  4  0.0892  0.0946  0.1955  1
  O  O21  4  0.0900  0.3608  0.4699  1
  O  O22  4  0.0964  0.0458  0.3078  1
  O  O23  4  0.1135  0.1243  0.5960  1
  O  O24  4  0.1439  0.3330  0.9738  1
  O  O25  4  0.1669  0.2927  0.2632  1
  O  O26  4  0.1698  0.3160  0.8601  1
  O  O27  4  0.2051  0.3263  0.5737  1
  O  O28  4  0.2285  0.1001  0.9298  1
  O  O29  4  0.2328  0.0851  0.5336  1
  O  O30  4  0.2401  0.0377  0.2373  1
  O  O31  4  0.2420  0.3755  0.0772  1
  O  O32  4  0.2564  0.1331  0.6368  1
  O  O33  4  0.2607  0.3984  0.3651  1
  O  O34  4  0.2742  0.4448  0.4696  1
  O  O35  4  0.2778  0.3887  0.7583  1
  O  O36  4  0.3041  0.1827  0.1362  1
  O  O37  4  0.3340  0.2263  0.4248  1
  O  O38  4  0.3347  0.1978  0.0316  1
  O  O39  4  0.3627  0.1754  0.7403  1
  O  O40  4  0.3914  0.3791  0.0968  1
  O  O41  4  0.3961  0.4630  0.4060  1
  O  O42  4  0.3988  0.4110  0.6976  1
  O  O43  4  0.4021  0.1321  0.2429  1
  O  O44  4  0.4181  0.3677  0.8021  1
  O  O45  4  0.4257  0.0886  0.5259  1
  O  O46  4  0.4306  0.0442  0.6401  1
  O  O47  4  0.4472  0.1116  0.9283  1
  O  O48  4  0.4692  0.3163  0.3024  1
  O  O49  4  0.4986  0.2924  0.5907  1
  O  O50  4  0.4998  0.3020  0.1978  1
]