# generated using pymatgen
data_Li6ScFe5(SiO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61893100
_cell_length_b   9.54581678
_cell_length_c   11.03196154
_cell_angle_alpha   77.35170843
_cell_angle_beta   79.06394591
_cell_angle_gamma   77.13233578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6ScFe5(SiO3)12
_chemical_formula_sum   'Li6 Sc1 Fe5 Si12 O36'
_cell_volume   655.71923006
_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  0.25031200  0.08366700  0.33314700  1
  Li  Li1  1  0.25219000  0.41334000  0.66492800  1
  Li  Li2  1  0.74860500  0.25118400  0.00005900  1
  Li  Li3  1  0.25005700  0.75102700  0.00254700  1
  Li  Li4  1  0.74921200  0.58351000  0.33279600  1
  Li  Li5  1  0.74469500  0.92053700  0.66468800  1
  Sc  Sc6  1  0.10219500  0.68135900  0.78438900  1
  Fe  Fe7  1  0.10230600  0.01478500  0.11794000  1
  Fe  Fe8  1  0.10333300  0.34891400  0.45038000  1
  Fe  Fe9  1  0.89688800  0.31841200  0.21633400  1
  Fe  Fe10  1  0.89632100  0.65194000  0.54697000  1
  Fe  Fe11  1  0.89531200  0.98702500  0.88320000  1
  Si  Si12  1  0.20668800  0.00275100  0.61517900  1
  Si  Si13  1  0.38658100  0.04658800  0.84231000  1
  Si  Si14  1  0.20820400  0.33023100  0.95036100  1
  Si  Si15  1  0.38556600  0.38208700  0.17500600  1
  Si  Si16  1  0.61500300  0.28430600  0.49169700  1
  Si  Si17  1  0.20698800  0.66824700  0.28104800  1
  Si  Si18  1  0.79250100  0.33282000  0.71782600  1
  Si  Si19  1  0.38580900  0.71527600  0.50557300  1
  Si  Si20  1  0.61708700  0.61829900  0.82523800  1
  Si  Si21  1  0.79322000  0.66642600  0.05366500  1
  Si  Si22  1  0.61284700  0.95145000  0.15893400  1
  Si  Si23  1  0.79327800  0.99881400  0.38435700  1
  O  O24  1  0.11765800  0.14084100  0.51275000  1
  O  O25  1  0.35556500  0.04977900  0.69712300  1
  O  O26  1  0.03125300  0.24851600  0.05130800  1
  O  O27  1  0.37347200  0.03461300  0.14896300  1
  O  O28  1  0.35694000  0.21431500  0.86543300  1
  O  O29  1  0.20153200  0.30447800  0.27306500  1
  O  O30  1  0.11352500  0.46736500  0.84970900  1
  O  O31  1  0.64868600  0.11484000  0.47119400  1
  O  O32  1  0.03223900  0.58412000  0.38192900  1
  O  O33  1  0.37560900  0.36698600  0.48116700  1
  O  O34  1  0.79639400  0.02963100  0.06081200  1
  O  O35  1  0.64521400  0.28360100  0.63637500  1
  O  O36  1  0.35474100  0.38157900  0.03083300  1
  O  O37  1  0.20440400  0.63417700  0.60152200  1
  O  O38  1  0.88458100  0.19494300  0.81969900  1
  O  O39  1  0.62522400  0.29961400  0.18541400  1
  O  O40  1  0.96890000  0.08232100  0.28400200  1
  O  O41  1  0.64635800  0.45015500  0.80260300  1
  O  O42  1  0.35238200  0.55178700  0.19482900  1
  O  O43  1  0.02691000  0.92417600  0.71547800  1
  O  O44  1  0.37858700  0.70208500  0.81831500  1
  O  O45  1  0.11242500  0.80697800  0.18091500  1
  O  O46  1  0.79886900  0.36221500  0.39380900  1
  O  O47  1  0.65465300  0.61447200  0.96894800  1
  O  O48  1  0.35466000  0.71909500  0.36070300  1
  O  O49  1  0.20090700  0.97047900  0.94002400  1
  O  O50  1  0.62602200  0.63315600  0.51449800  1
  O  O51  1  0.96863700  0.41548800  0.61655800  1
  O  O52  1  0.35045700  0.88278800  0.53165900  1
  O  O53  1  0.88530800  0.52704400  0.15434400  1
  O  O54  1  0.79495700  0.69698300  0.72353300  1
  O  O55  1  0.64293100  0.78228900  0.13851600  1
  O  O56  1  0.62592400  0.96324400  0.85194300  1
  O  O57  1  0.96766300  0.75210000  0.95559300  1
  O  O58  1  0.64423400  0.95096500  0.30336300  1
  O  O59  1  0.88698000  0.85978600  0.48448700  1
