# generated using pymatgen
data_K2ScSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53862800
_cell_length_b   12.79516600
_cell_length_c   12.85978000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScSi2O7
_chemical_formula_sum   'K16 Sc8 Si16 O56'
_cell_volume   1404.97163627
_cell_formula_units_Z   8
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
  K  K0  1  0.00000000  0.48148300  0.29127800  1.0
  K  K1  1  0.00000000  0.51851700  0.70872200  1.0
  K  K2  1  0.00000000  0.98148300  0.20872200  1.0
  K  K3  1  0.00000000  0.01851700  0.79127800  1.0
  K  K4  1  0.50000000  0.52588800  0.34283100  1.0
  K  K5  1  0.50000000  0.47411200  0.65716900  1.0
  K  K6  1  0.50000000  0.02588800  0.15716900  1.0
  K  K7  1  0.50000000  0.97411200  0.84283100  1.0
  K  K8  1  0.00000000  0.84438000  0.52111400  1.0
  K  K9  1  0.00000000  0.15562000  0.47888600  1.0
  K  K10  1  0.00000000  0.34438000  0.97888600  1.0
  K  K11  1  0.00000000  0.65562000  0.02111400  1.0
  K  K12  1  0.50000000  0.78464400  0.52106700  1.0
  K  K13  1  0.50000000  0.21535600  0.47893300  1.0
  K  K14  1  0.50000000  0.28464400  0.97893300  1.0
  K  K15  1  0.50000000  0.71535600  0.02106700  1.0
  Sc  Sc16  1  0.25070200  0.74978000  0.25185100  1.0
  Sc  Sc17  1  0.25070200  0.25022000  0.74814900  1.0
  Sc  Sc18  1  0.74929800  0.24978000  0.24814900  1.0
  Sc  Sc19  1  0.74929800  0.75022000  0.75185100  1.0
  Sc  Sc20  1  0.74929800  0.25022000  0.74814900  1.0
  Sc  Sc21  1  0.74929800  0.74978000  0.25185100  1.0
  Sc  Sc22  1  0.25070200  0.75022000  0.75185100  1.0
  Sc  Sc23  1  0.25070200  0.24978000  0.24814900  1.0
  Si  Si24  1  0.18847500  0.62242500  0.49409300  1.0
  Si  Si25  1  0.18847500  0.37757500  0.50590700  1.0
  Si  Si26  1  0.81152500  0.12242500  0.00590700  1.0
  Si  Si27  1  0.81152500  0.87757500  0.99409300  1.0
  Si  Si28  1  0.81152500  0.37757500  0.50590700  1.0
  Si  Si29  1  0.81152500  0.62242500  0.49409300  1.0
  Si  Si30  1  0.18847500  0.87757500  0.99409300  1.0
  Si  Si31  1  0.18847500  0.12242500  0.00590700  1.0
  Si  Si32  1  0.31156500  0.49299900  0.12087300  1.0
  Si  Si33  1  0.31156500  0.50700100  0.87912700  1.0
  Si  Si34  1  0.68843500  0.99299900  0.37912700  1.0
  Si  Si35  1  0.68843500  0.00700100  0.62087300  1.0
  Si  Si36  1  0.68843500  0.50700100  0.87912700  1.0
  Si  Si37  1  0.68843500  0.49299900  0.12087300  1.0
  Si  Si38  1  0.31156500  0.00700100  0.62087300  1.0
  Si  Si39  1  0.31156500  0.99299900  0.37912700  1.0
  O  O40  1  0.25794900  0.50000000  0.50000000  1.0
  O  O41  1  0.74205100  0.00000000  0.00000000  1.0
  O  O42  1  0.74205100  0.50000000  0.50000000  1.0
  O  O43  1  0.25794900  0.00000000  0.00000000  1.0
  O  O44  1  0.23968700  0.50000000  0.00000000  1.0
  O  O45  1  0.76031300  0.00000000  0.50000000  1.0
  O  O46  1  0.76031300  0.50000000  0.00000000  1.0
  O  O47  1  0.23968700  0.00000000  0.50000000  1.0
  O  O48  1  0.00000000  0.61211400  0.46636300  1.0
  O  O49  1  0.00000000  0.38788600  0.53363700  1.0
  O  O50  1  0.00000000  0.11211400  0.03363700  1.0
  O  O51  1  0.00000000  0.88788600  0.96636300  1.0
  O  O52  1  0.50000000  0.46807300  0.10969000  1.0
  O  O53  1  0.50000000  0.53192700  0.89031000  1.0
  O  O54  1  0.50000000  0.96807300  0.39031000  1.0
  O  O55  1  0.50000000  0.03192700  0.60969000  1.0
  O  O56  1  0.00000000  0.72737300  0.25321300  1.0
  O  O57  1  0.00000000  0.27262700  0.74678700  1.0
  O  O58  1  0.00000000  0.22737300  0.24678700  1.0
  O  O59  1  0.00000000  0.77262700  0.75321300  1.0
  O  O60  1  0.50000000  0.76813100  0.23514100  1.0
  O  O61  1  0.50000000  0.23186900  0.76485900  1.0
  O  O62  1  0.50000000  0.26813100  0.26485900  1.0
  O  O63  1  0.50000000  0.73186900  0.73514100  1.0
  O  O64  1  0.27838700  0.67822500  0.39907700  1.0
  O  O65  1  0.27838700  0.32177500  0.60092300  1.0
  O  O66  1  0.72161300  0.17822500  0.10092300  1.0
  O  O67  1  0.72161300  0.82177500  0.89907700  1.0
  O  O68  1  0.72161300  0.32177500  0.60092300  1.0
  O  O69  1  0.72161300  0.67822500  0.39907700  1.0
  O  O70  1  0.27838700  0.82177500  0.89907700  1.0
  O  O71  1  0.27838700  0.17822500  0.10092300  1.0
  O  O72  1  0.28578100  0.60405400  0.17769000  1.0
  O  O73  1  0.28578100  0.39594600  0.82231000  1.0
  O  O74  1  0.71421900  0.10405400  0.32231000  1.0
  O  O75  1  0.71421900  0.89594600  0.67769000  1.0
  O  O76  1  0.71421900  0.39594600  0.82231000  1.0
  O  O77  1  0.71421900  0.60405400  0.17769000  1.0
  O  O78  1  0.28578100  0.89594600  0.67769000  1.0
  O  O79  1  0.28578100  0.10405400  0.32231000  1.0
  O  O80  1  0.20809200  0.81899500  0.10435400  1.0
  O  O81  1  0.20809200  0.18100500  0.89564600  1.0
  O  O82  1  0.79190800  0.31899500  0.39564600  1.0
  O  O83  1  0.79190800  0.68100500  0.60435400  1.0
  O  O84  1  0.79190800  0.18100500  0.89564600  1.0
  O  O85  1  0.79190800  0.81899500  0.10435400  1.0
  O  O86  1  0.20809200  0.68100500  0.60435400  1.0
  O  O87  1  0.20809200  0.31899500  0.39564600  1.0
  O  O88  1  0.22716800  0.89619500  0.32276200  1.0
  O  O89  1  0.22716800  0.10380500  0.67723800  1.0
  O  O90  1  0.77283200  0.39619500  0.17723800  1.0
  O  O91  1  0.77283200  0.60380500  0.82276200  1.0
  O  O92  1  0.77283200  0.10380500  0.67723800  1.0
  O  O93  1  0.77283200  0.89619500  0.32276200  1.0
  O  O94  1  0.22716800  0.60380500  0.82276200  1.0
  O  O95  1  0.22716800  0.39619500  0.17723800  1.0