# generated using pymatgen
data_Li3Y14Ti14(S2O5)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63834200
_cell_length_b   11.65726917
_cell_length_c   12.17272603
_cell_angle_alpha   84.04174185
_cell_angle_beta   82.06657216
_cell_angle_gamma   77.17766790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Y14Ti14(S2O5)7
_chemical_formula_sum   'Li3 Y14 Ti14 S14 O35'
_cell_volume   1180.37736327
_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
  Li  Li0  1  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.92791600  0.00002800  0.85286400  1
  Li  Li2  1  0.07208400  0.99997200  0.14713600  1
  Y  Y3  1  0.52506900  0.66525000  0.88075700  1
  Y  Y4  1  0.33294800  0.33482600  0.83307100  1
  Y  Y5  1  0.47493100  0.33475000  0.11924300  1
  Y  Y6  1  0.95378100  0.66846800  0.73733200  1
  Y  Y7  1  0.09351700  0.67110700  0.02356900  1
  Y  Y8  1  0.23530400  0.66853800  0.31034500  1
  Y  Y9  1  0.37993100  0.66898300  0.59378200  1
  Y  Y10  1  0.76469600  0.33146200  0.68965500  1
  Y  Y11  1  0.90648300  0.32889300  0.97643100  1
  Y  Y12  1  0.04621900  0.33153200  0.26266800  1
  Y  Y13  1  0.19044200  0.33187900  0.54665600  1
  Y  Y14  1  0.66705200  0.66517400  0.16692900  1
  Y  Y15  1  0.80955800  0.66812100  0.45334400  1
  Y  Y16  1  0.62006900  0.33101700  0.40621800  1
  Ti  Ti17  1  0.19713300  0.83596700  0.79479000  1
  Ti  Ti18  1  0.33655900  0.83620400  0.08013300  1
  Ti  Ti19  1  0.47143100  0.83568900  0.36487800  1
  Ti  Ti20  1  0.10314400  0.16457200  0.77114400  1
  Ti  Ti21  1  0.24286500  0.16428800  0.05668800  1
  Ti  Ti22  1  0.37748700  0.16425800  0.34157300  1
  Ti  Ti23  1  0.52856900  0.16431100  0.63512200  1
  Ti  Ti24  1  0.62251300  0.83574200  0.65842700  1
  Ti  Ti25  1  0.75713500  0.83571200  0.94331200  1
  Ti  Ti26  1  0.89685600  0.83542800  0.22885600  1
  Ti  Ti27  1  0.04577300  0.83929900  0.51154800  1
  Ti  Ti28  1  0.66344100  0.16379600  0.91986700  1
  Ti  Ti29  1  0.80286700  0.16403300  0.20521000  1
  Ti  Ti30  1  0.95422700  0.16070100  0.48845200  1
  S  S31  1  0.25747900  0.59096400  0.81552000  1
  S  S32  1  0.54504300  0.59162900  0.38767900  1
  S  S33  1  0.39892400  0.59036700  0.10190800  1
  S  S34  1  0.02330000  0.40848400  0.75731100  1
  S  S35  1  0.16503400  0.40927600  0.04339400  1
  S  S36  1  0.31265100  0.40827300  0.32953100  1
  S  S37  1  0.45495700  0.40837100  0.61232100  1
  S  S38  1  0.83496600  0.59072400  0.95660600  1
  S  S39  1  0.68734900  0.59172700  0.67046900  1
  S  S40  1  0.97670000  0.59151600  0.24268900  1
  S  S41  1  0.11826100  0.58752300  0.52989400  1
  S  S42  1  0.60107600  0.40963300  0.89809200  1
  S  S43  1  0.74252100  0.40903600  0.18448000  1
  S  S44  1  0.88173900  0.41247700  0.47010600  1
  O  O45  1  0.41811500  0.79813600  0.72839200  1
  O  O46  1  0.55830800  0.79574200  0.01464500  1
  O  O47  1  0.44169200  0.20425800  0.98535500  1
  O  O48  1  0.30281700  0.20200200  0.69953500  1
  O  O49  1  0.13134100  0.79849800  0.65650000  1
  O  O50  1  0.41356300  0.79843200  0.22683900  1
  O  O51  1  0.55299800  0.81362600  0.51332200  1
  O  O52  1  0.27435800  0.79711100  0.94204700  1
  O  O53  1  0.13975500  0.00006700  0.78684900  1
  O  O54  1  0.15850400  0.20259600  0.91301500  1
  O  O55  1  0.12346000  0.81391600  0.15567800  1
  O  O56  1  0.29841000  0.20145400  0.19820000  1
  O  O57  1  0.27956700  0.00005000  0.07218900  1
  O  O58  1  0.98315700  0.81385900  0.87096600  1
  O  O59  1  0.42805400  0.99999100  0.35998900  1
  O  O60  1  0.44700200  0.18637400  0.48667800  1
  O  O61  1  0.27019300  0.79854900  0.44171000  1
  O  O62  1  0.70159000  0.79854600  0.80180000  1
  O  O63  1  0.87654000  0.18608400  0.84432200  1
  O  O64  1  0.84149600  0.79740400  0.08698500  1
  O  O65  1  0.98390400  0.79843600  0.37254900  1
  O  O66  1  0.01684300  0.18614100  0.12903400  1
  O  O67  1  0.15516400  0.20165500  0.41284300  1
  O  O68  1  0.58643700  0.20156800  0.77316100  1
  O  O69  1  0.86865900  0.20150200  0.34350000  1
  O  O70  1  0.72043300  0.99995000  0.92781100  1
  O  O71  1  0.72564200  0.20288900  0.05795300  1
  O  O72  1  0.69718300  0.79799800  0.30046500  1
  O  O73  1  0.86024500  0.99993300  0.21315100  1
  O  O74  1  0.00000000  0.00000000  0.50000000  1
  O  O75  1  0.01609600  0.20156400  0.62745100  1
  O  O76  1  0.57194600  0.00000900  0.64001100  1
  O  O77  1  0.84483600  0.79834500  0.58715700  1
  O  O78  1  0.58188500  0.20186400  0.27160800  1
  O  O79  1  0.72980700  0.20145100  0.55829000  1
