# generated using pymatgen
data_Li11Fe12(BO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06040900
_cell_length_b   9.06624222
_cell_length_c   11.46548072
_cell_angle_alpha   88.94186077
_cell_angle_beta   113.22462396
_cell_angle_gamma   119.88370387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li11Fe12(BO3)12
_chemical_formula_sum   'Li11 Fe12 B12 O36'
_cell_volume   731.45423261
_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  0.98987400  0.57492500  0.41256500  1
  Li  Li1  1  0.73053400  0.27722200  0.16044100  1
  Li  Li2  1  0.65319700  0.91210900  0.41374800  1
  Li  Li3  1  0.71456900  0.78332900  0.66798800  1
  Li  Li4  1  0.39153500  0.60968500  0.16125000  1
  Li  Li5  1  0.66613800  0.40971600  0.90742800  1
  Li  Li6  1  0.31855100  0.24586900  0.39910500  1
  Li  Li7  1  0.38808200  0.11516000  0.66711900  1
  Li  Li8  1  0.05921800  0.94491800  0.15780000  1
  Li  Li9  1  0.33403500  0.74070600  0.91139400  1
  Li  Li10  1  0.04572900  0.44517600  0.66470700  1
  Fe  Fe11  1  0.63154100  0.23357900  0.38077000  1
  Fe  Fe12  1  0.37396300  0.93947700  0.12725200  1
  Fe  Fe13  1  0.29049800  0.38479400  0.88323000  1
  Fe  Fe14  1  0.30564700  0.56465500  0.37893200  1
  Fe  Fe15  1  0.03209700  0.10354000  0.64025800  1
  Fe  Fe16  1  0.03883500  0.26949900  0.11973100  1
  Fe  Fe17  1  0.98354100  0.75720300  0.88497900  1
  Fe  Fe18  1  0.97087000  0.90413300  0.37946300  1
  Fe  Fe19  1  0.69967200  0.44479800  0.63590900  1
  Fe  Fe20  1  0.69906800  0.59887300  0.12359200  1
  Fe  Fe21  1  0.65713000  0.06191100  0.88008300  1
  Fe  Fe22  1  0.36357900  0.76808000  0.63349800  1
  B  B23  1  0.29885800  0.89661200  0.37559700  1
  B  B24  1  0.03234100  0.60238900  0.12727800  1
  B  B25  1  0.62484900  0.72203100  0.87225100  1
  B  B26  1  0.97188600  0.23422600  0.37427900  1
  B  B27  1  0.35796600  0.42976900  0.62240500  1
  B  B28  1  0.69890000  0.93287300  0.12865800  1
  B  B29  1  0.31714600  0.06761600  0.87437800  1
  B  B30  1  0.64187700  0.57647200  0.37696900  1
  B  B31  1  0.02456800  0.76485800  0.61865300  1
  B  B32  1  0.36934000  0.26911200  0.13589400  1
  B  B33  1  0.97182900  0.41326900  0.87550600  1
  B  B34  1  0.69679400  0.09999500  0.62647500  1
  O  O35  1  0.48894700  0.20480700  0.16365900  1
  O  O36  1  0.09440000  0.76764400  0.09983800  1
  O  O37  1  0.84812500  0.49950300  0.11405100  1
  O  O38  1  0.23872200  0.74161500  0.41502000  1
  O  O39  1  0.45394800  0.97050800  0.34697900  1
  O  O40  1  0.87811800  0.31906900  0.36273600  1
  O  O41  1  0.76288000  0.99694100  0.60960900  1
  O  O42  1  0.15093500  0.53780500  0.16498400  1
  O  O43  1  0.21088000  0.36687100  0.65791100  1
  O  O44  1  0.75761600  0.09058000  0.09025200  1
  O  O45  1  0.43364800  0.59501000  0.59354100  1
  O  O46  1  0.51618000  0.82986200  0.11642300  1
  O  O47  1  0.78595200  0.80623800  0.85547500  1
  O  O48  1  0.90691500  0.07108600  0.41021600  1
  O  O49  1  0.57104300  0.56863000  0.91818500  1
  O  O50  1  0.12583200  0.30257900  0.34641300  1
  O  O51  1  0.20051400  0.13259500  0.84033400  1
  O  O52  1  0.55074500  0.66446100  0.36192000  1
  O  O53  1  0.42996600  0.32894600  0.61222200  1
  O  O54  1  0.82414200  0.87190100  0.17723000  1
  O  O55  1  0.88476100  0.71043100  0.65929600  1
  O  O56  1  0.42417800  0.42995000  0.10068400  1
  O  O57  1  0.09307200  0.92683200  0.57933100  1
  O  O58  1  0.20230000  0.17573600  0.14484800  1
  O  O59  1  0.48419900  0.15424500  0.86245700  1
  O  O60  1  0.58119200  0.41837800  0.41358500  1
  O  O61  1  0.26015400  0.91017100  0.91568800  1
  O  O62  1  0.80305900  0.64978800  0.35120000  1
  O  O63  1  0.85892300  0.48457000  0.84303100  1
  O  O64  1  0.20308100  0.98411600  0.36349700  1
  O  O65  1  0.09821900  0.66510200  0.61290400  1
  O  O66  1  0.55587300  0.03503700  0.66930000  1
  O  O67  1  0.76645300  0.26418000  0.59693700  1
  O  O68  1  0.13907900  0.49662800  0.86150400  1
  O  O69  1  0.91712300  0.26168400  0.91984300  1
  O  O70  1  0.51207300  0.79365200  0.84343700  1
