# generated using pymatgen
data_Li8ScFe7(SiO3)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26203520
_cell_length_b   9.41509218
_cell_length_c   13.05089969
_cell_angle_alpha   102.77280377
_cell_angle_beta   95.31861784
_cell_angle_gamma   102.16035446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8ScFe7(SiO3)16
_chemical_formula_sum   'Li8 Sc1 Fe7 Si16 O48'
_cell_volume   841.59244026
_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  0.24960772  0.00031969  0.37583859  1
  Li  Li1  1  0.24678652  0.50271558  0.12902392  1
  Li  Li2  1  0.74876614  0.50069616  0.37553765  1
  Li  Li3  1  0.24683536  0.99506386  0.87488210  1
  Li  Li4  1  0.25160033  0.49865587  0.62382435  1
  Li  Li5  1  0.75001709  0.00023925  0.12408954  1
  Li  Li6  1  0.75350976  0.50347848  0.87516216  1
  Li  Li7  1  0.74634448  0.00075553  0.62457499  1
  Sc  Sc8  1  0.42455324  0.32489675  0.94980530  1
  Fe  Fe9  1  0.57529075  0.68004465  0.05302322  1
  Fe  Fe10  1  0.07022634  0.17513982  0.05241046  1
  Fe  Fe11  1  0.92672297  0.82350995  0.44859873  1
  Fe  Fe12  1  0.57361333  0.67609492  0.55172306  1
  Fe  Fe13  1  0.42643075  0.32316218  0.44887562  1
  Fe  Fe14  1  0.07318610  0.17641956  0.55128410  1
  Fe  Fe15  1  0.92586951  0.82426098  0.94845115  1
  Si  Si16  1  0.32823517  0.94271822  0.10461443  1
  Si  Si17  1  0.98975911  0.78148174  0.19387663  1
  Si  Si18  1  0.51328148  0.72010686  0.30719142  1
  Si  Si19  1  0.83003506  0.44345568  0.10507828  1
  Si  Si20  1  0.32681607  0.94074952  0.60374700  1
  Si  Si21  1  0.17335045  0.55886554  0.39587059  1
  Si  Si22  1  0.48764718  0.28167527  0.19502511  1
  Si  Si23  1  0.01100769  0.21955063  0.30707341  1
  Si  Si24  1  0.98756418  0.77971858  0.69280623  1
  Si  Si25  1  0.51222264  0.71648185  0.80578487  1
  Si  Si26  1  0.82954930  0.44053949  0.60176571  1
  Si  Si27  1  0.17176977  0.56057651  0.89659310  1
  Si  Si28  1  0.67227929  0.05930285  0.39653952  1
  Si  Si29  1  0.49092236  0.28039274  0.69042491  1
  Si  Si30  1  0.00730366  0.21822638  0.80655420  1
  Si  Si31  1  0.67128850  0.05457956  0.89482946  1
  O  O32  1  0.17648667  0.97432004  0.01642452  1
  O  O33  1  0.48101907  0.85535860  0.05655845  1
  O  O34  1  0.20714339  0.85095324  0.17813154  1
  O  O35  1  0.84220245  0.81049786  0.10225145  1
  O  O36  1  0.54506364  0.90001712  0.32236749  1
  O  O37  1  0.68418328  0.47933301  0.01675368  1
  O  O38  1  0.17598758  0.97368997  0.51566868  1
  O  O39  1  0.53162152  0.64088263  0.18736471  1
  O  O40  1  0.29555188  0.64918061  0.32183289  1
  O  O41  1  0.33670054  0.31034249  0.10511133  1
  O  O42  1  0.02227422  0.64800262  0.44409620  1
  O  O43  1  0.97163608  0.86076938  0.31367103  1
  O  O44  1  0.04587195  0.39968750  0.32142317  1
  O  O45  1  0.96034167  0.60150876  0.17929661  1
  O  O46  1  0.02433162  0.13820172  0.18679937  1
  O  O47  1  0.47732448  0.85105112  0.55544388  1
  O  O48  1  0.97846830  0.35183945  0.05663808  1
  O  O49  1  0.65999164  0.69083181  0.39898863  1
  O  O50  1  0.20513719  0.85072196  0.67797844  1
  O  O51  1  0.70376905  0.35219682  0.17719643  1
  O  O52  1  0.47328956  0.36172580  0.31494845  1
  O  O53  1  0.32381741  0.52633577  0.48424546  1
  O  O54  1  0.45510425  0.10172102  0.17928506  1
  O  O55  1  0.84031360  0.80979418  0.60151908  1
  O  O56  1  0.15914615  0.18952491  0.39778903  1
  O  O57  1  0.54738082  0.89590884  0.81868478  1
  O  O58  1  0.67786712  0.47417658  0.51465353  1
  O  O59  1  0.52946616  0.63579687  0.68608357  1
  O  O60  1  0.29410488  0.64885002  0.82175060  1
  O  O61  1  0.79360496  0.15205430  0.32373172  1
  O  O62  1  0.34171722  0.30878101  0.59916671  1
  O  O63  1  0.52022707  0.14703110  0.44478749  1
  O  O64  1  0.02031806  0.64930610  0.94370848  1
  O  O65  1  0.97039509  0.85822533  0.81291162  1
  O  O66  1  0.04418426  0.39946327  0.82472335  1
  O  O67  1  0.95577709  0.59954073  0.67703379  1
  O  O68  1  0.02665415  0.14178729  0.68633516  1
  O  O69  1  0.98226439  0.35351036  0.55328490  1
  O  O70  1  0.65855450  0.69009833  0.89918564  1
  O  O71  1  0.70866793  0.34500488  0.67298095  1
  O  O72  1  0.47568957  0.36322750  0.80918063  1
  O  O73  1  0.32188658  0.53181661  0.98688541  1
  O  O74  1  0.82294813  0.02635142  0.48462653  1
  O  O75  1  0.45537295  0.10015177  0.67669016  1
  O  O76  1  0.15109908  0.18457106  0.89724111  1
  O  O77  1  0.78968448  0.14909625  0.82161443  1
  O  O78  1  0.51946380  0.13939048  0.94479367  1
  O  O79  1  0.82349818  0.02350088  0.98328330  1
