# generated using pymatgen
data_Li11Fe12(BO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34020700
_cell_length_b   8.79243959
_cell_length_c   8.78132680
_cell_angle_alpha   107.78807540
_cell_angle_beta   99.14099329
_cell_angle_gamma   99.11474863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li11Fe12(BO3)12
_chemical_formula_sum   'Li11 Fe12 B12 O36'
_cell_volume   732.12824167
_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  0.03030300  0.73041600  0.01614500  1
  Li  Li1  1  0.68706600  0.70654400  0.40215100  1
  Li  Li2  1  0.43703300  0.45161600  0.15369200  1
  Li  Li3  1  0.94012100  0.95590000  0.65520500  1
  Li  Li4  1  0.65967100  0.94004300  0.95750900  1
  Li  Li5  1  0.15751600  0.44261100  0.45614600  1
  Li  Li6  1  0.40991000  0.69259700  0.70767300  1
  Li  Li7  1  0.52602600  0.22777500  0.51348900  1
  Li  Li8  1  0.77826400  0.47823600  0.76427500  1
  Li  Li9  1  0.18589300  0.20488000  0.90119600  1
  Li  Li10  1  0.90782600  0.19256100  0.20514800  1
  Fe  Fe11  1  0.31124100  0.68644900  0.32169400  1
  Fe  Fe12  1  0.56050700  0.93358500  0.56705400  1
  Fe  Fe13  1  0.06085800  0.43370100  0.06989600  1
  Fe  Fe14  1  0.28305100  0.90915000  0.90298500  1
  Fe  Fe15  1  0.02128000  0.66038400  0.65552300  1
  Fe  Fe16  1  0.92224700  0.90807100  0.27325900  1
  Fe  Fe17  1  0.66620800  0.65548900  0.02298200  1
  Fe  Fe18  1  0.77087400  0.40993500  0.40210200  1
  Fe  Fe19  1  0.51819100  0.15830500  0.15841100  1
  Fe  Fe20  1  0.16330300  0.15430500  0.51725700  1
  Fe  Fe21  1  0.41226700  0.40598300  0.77338200  1
  Fe  Fe22  1  0.81198600  0.18440400  0.81865900  1
  B  B23  1  0.21097100  0.87555100  0.55379500  1
  B  B24  1  0.54187300  0.87049900  0.20775500  1
  B  B25  1  0.70609000  0.37321300  0.03986900  1
  B  B26  1  0.95926900  0.62522400  0.29259500  1
  B  B27  1  0.50055100  0.50067100  0.50001400  1
  B  B28  1  0.75051200  0.75023700  0.74926200  1
  B  B29  1  0.25112500  0.25567400  0.24904300  1
  B  B30  1  0.00142900  0.99991800  0.99196700  1
  B  B31  1  0.04206800  0.37512000  0.70678000  1
  B  B32  1  0.29337900  0.62796500  0.96348200  1
  B  B33  1  0.45560700  0.11912600  0.79238200  1
  B  B34  1  0.79111200  0.12483300  0.45787900  1
  O  O35  1  0.11519300  0.91917600  0.01106000  1
  O  O36  1  0.16194600  0.94950800  0.44042000  1
  O  O37  1  0.49696900  0.94228500  0.08268400  1
  O  O38  1  0.19737900  0.62044800  0.06085300  1
  O  O39  1  0.45989400  0.86171500  0.31599100  1
  O  O40  1  0.13282300  0.87073600  0.67452100  1
  O  O41  1  0.33360900  0.80536600  0.55766400  1
  O  O42  1  0.08614000  0.55781800  0.30442900  1
  O  O43  1  0.67203000  0.80842700  0.21802800  1
  O  O44  1  0.92086600  0.70051100  0.17417500  1
  O  O45  1  0.01172400  0.45186300  0.58857700  1
  O  O46  1  0.26629700  0.71149200  0.85049000  1
  O  O47  1  0.73776200  0.82231100  0.62753900  1
  O  O48  1  0.48272500  0.56843800  0.37372000  1
  O  O49  1  0.22867400  0.32093400  0.11891700  1
  O  O50  1  0.39645700  0.50649400  0.59194300  1
  O  O51  1  0.64542500  0.75501900  0.83971700  1
  O  O52  1  0.14509900  0.25825100  0.33915200  1
  O  O53  1  0.87086800  0.61711200  0.39959100  1
  O  O54  1  0.61593400  0.36151400  0.14453400  1
  O  O55  1  0.83309300  0.30629900  0.05087100  1
  O  O56  1  0.41429800  0.55585400  0.97353700  1
  O  O57  1  0.16504800  0.30384400  0.72212900  1
  O  O58  1  0.86706600  0.67232900  0.78276300  1
  O  O59  1  0.62166800  0.42719700  0.53692600  1
  O  O60  1  0.37953200  0.19332700  0.29094300  1
  O  O61  1  0.66848700  0.45138200  0.92431700  1
  O  O62  1  0.41977100  0.20096200  0.68244400  1
  O  O63  1  0.75862400  0.19870700  0.33642300  1
  O  O64  1  0.89930300  0.00407700  0.08689400  1
  O  O65  1  0.94914300  0.37140200  0.80867100  1
  O  O66  1  0.69835300  0.12217800  0.56036400  1
  O  O67  1  0.36055900  0.10099100  0.89460400  1
  O  O68  1  0.58261400  0.05295400  0.80346900  1
  O  O69  1  0.91406500  0.05436400  0.47458700  1
  O  O70  1  0.98423900  0.07587500  0.87284300  1
