data_[Sr16V12O39]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.8598]
_cell_length_b [8.7828]
_cell_length_c [14.4209]
_cell_angle_alpha [79.4660]
_cell_angle_beta [82.1332]
_cell_angle_gamma [63.4804]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr16V12O39]
_chemical_formula_sum '[Sr16 V12 O39]'
_cell_volume [874.0100]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0788  0.1504  0.4054  1
  Sr  Sr1  1  0.1137  0.2230  0.1339  1
  Sr  Sr2  1  0.1446  0.2905  0.8634  1
  Sr  Sr3  1  0.1751  0.3554  0.5954  1
  Sr  Sr4  1  0.3303  0.6472  0.4046  1
  Sr  Sr5  1  0.3703  0.7100  0.1338  1
  Sr  Sr6  1  0.4014  0.7781  0.8630  1
  Sr  Sr7  1  0.4288  0.8485  0.5946  1
  Sr  Sr8  1  0.5677  0.1512  0.4055  1
  Sr  Sr9  1  0.5959  0.2234  0.1339  1
  Sr  Sr10  1  0.6330  0.2900  0.8633  1
  Sr  Sr11  1  0.6733  0.3525  0.5954  1
  Sr  Sr12  1  0.8206  0.6462  0.4044  1
  Sr  Sr13  1  0.8531  0.7096  0.1341  1
  Sr  Sr14  1  0.8889  0.7781  0.8636  1
  Sr  Sr15  1  0.9247  0.8474  0.5983  1
  V  V16  1  0.0017  0.0031  0.9874  1
  V  V17  1  0.0356  0.0708  0.7176  1
  V  V18  1  0.2142  0.4314  0.2794  1
  V  V19  1  0.2500  0.4997  0.0007  1
  V  V20  1  0.2840  0.5739  0.7179  1
  V  V21  1  0.4652  0.9308  0.2769  1
  V  V22  1  0.4999  0.0001  0.0001  1
  V  V23  1  0.5342  0.0701  0.7204  1
  V  V24  1  0.7156  0.4285  0.2792  1
  V  V25  1  0.7497  0.5002  0.0006  1
  V  V26  1  0.7866  0.5664  0.7180  1
  V  V27  1  0.9635  0.9268  0.2926  1
  O  O28  1  0.0179  0.0348  0.8591  1
  O  O29  1  0.0346  0.5688  0.7243  1
  O  O30  1  0.0529  0.1065  0.5788  1
  O  O31  1  0.0911  0.6827  0.2722  1
  O  O32  1  0.1153  0.7626  0.0143  1
  O  O33  1  0.1652  0.8091  0.7215  1
  O  O34  1  0.1978  0.3965  0.4182  1
  O  O35  1  0.1982  0.9332  0.2669  1
  O  O36  1  0.2329  0.4652  0.1366  1
  O  O37  1  0.2449  0.9987  0.0057  1
  O  O38  1  0.2614  0.5434  0.8688  1
  O  O39  1  0.2937  0.0694  0.7237  1
  O  O40  1  0.3054  0.6013  0.5784  1
  O  O41  1  0.3399  0.1825  0.2758  1
  O  O42  1  0.3734  0.2533  0.9980  1
  O  O43  1  0.4056  0.3260  0.7262  1
  O  O44  1  0.4477  0.8951  0.4189  1
  O  O45  1  0.4645  0.4318  0.2765  1
  O  O46  1  0.4834  0.9666  0.1335  1
  O  O47  1  0.4999  0.4995  0.0021  1
  O  O48  1  0.5168  0.0335  0.8661  1
  O  O49  1  0.5345  0.5689  0.7243  1
  O  O50  1  0.5514  0.1056  0.5808  1
  O  O51  1  0.5912  0.6786  0.2758  1
  O  O52  1  0.6272  0.7479  0.9980  1
  O  O53  1  0.6628  0.8112  0.7259  1
  O  O54  1  0.6980  0.3939  0.4180  1
  O  O55  1  0.7330  0.4666  0.1369  1
  O  O56  1  0.7352  0.9331  0.2672  1
  O  O57  1  0.7536  0.9988  0.0054  1
  O  O58  1  0.7703  0.5230  0.8684  1
  O  O59  1  0.7753  0.0691  0.7235  1
  O  O60  1  0.8011  0.6076  0.5783  1
  O  O61  1  0.8418  0.1820  0.2719  1
  O  O62  1  0.8813  0.2307  0.0138  1
  O  O63  1  0.9049  0.3299  0.7218  1
  O  O64  1  0.9468  0.8945  0.4236  1
  O  O65  1  0.9669  0.4298  0.2766  1
  O  O66  1  0.9992  0.4993  0.0033  1
]