# generated using pymatgen
data_Li11Fe12(BO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78132700
_cell_length_b   8.79244014
_cell_length_c   10.34020646
_cell_angle_alpha   99.11474868
_cell_angle_beta   99.14099542
_cell_angle_gamma   107.78807337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li11Fe12(BO3)12
_chemical_formula_sum   'Li11 Fe12 B12 O36'
_cell_volume   732.12826909
_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  0.96969700  0.98385500  0.26958400  1
  Li  Li1  1  0.31293400  0.59784900  0.29345600  1
  Li  Li2  1  0.56296700  0.84630800  0.54838400  1
  Li  Li3  1  0.05987900  0.34479500  0.04410000  1
  Li  Li4  1  0.34032900  0.04249100  0.05995700  1
  Li  Li5  1  0.84248400  0.54385400  0.55738900  1
  Li  Li6  1  0.59009000  0.29232700  0.30740300  1
  Li  Li7  1  0.47397400  0.48651100  0.77222500  1
  Li  Li8  1  0.22173600  0.23572500  0.52176400  1
  Li  Li9  1  0.81410700  0.09880400  0.79512000  1
  Li  Li10  1  0.09217400  0.79485200  0.80743900  1
  Fe  Fe11  1  0.68875900  0.67830600  0.31355100  1
  Fe  Fe12  1  0.43949300  0.43294600  0.06641500  1
  Fe  Fe13  1  0.93914200  0.93010400  0.56629900  1
  Fe  Fe14  1  0.71694900  0.09701500  0.09085000  1
  Fe  Fe15  1  0.97872000  0.34447700  0.33961600  1
  Fe  Fe16  1  0.07775300  0.72674100  0.09192900  1
  Fe  Fe17  1  0.33379200  0.97701800  0.34451100  1
  Fe  Fe18  1  0.22912600  0.59789800  0.59006500  1
  Fe  Fe19  1  0.48180900  0.84158900  0.84169500  1
  Fe  Fe20  1  0.83669700  0.48274300  0.84569500  1
  Fe  Fe21  1  0.58773300  0.22661800  0.59401700  1
  Fe  Fe22  1  0.18801400  0.18134100  0.81559600  1
  B  B23  1  0.78902900  0.44620500  0.12444900  1
  B  B24  1  0.45812700  0.79224500  0.12950100  1
  B  B25  1  0.29391000  0.96013100  0.62678700  1
  B  B26  1  0.04073100  0.70740500  0.37477600  1
  B  B27  1  0.49944900  0.49998600  0.49932900  1
  B  B28  1  0.24948800  0.25073800  0.24976300  1
  B  B29  1  0.74887500  0.75095700  0.74432600  1
  B  B30  1  0.99857100  0.00803300  0.00008200  1
  B  B31  1  0.95793200  0.29322000  0.62488000  1
  B  B32  1  0.70662100  0.03651800  0.37203500  1
  B  B33  1  0.54439300  0.20761800  0.88087400  1
  B  B34  1  0.20888800  0.54212100  0.87516700  1
  O  O35  1  0.88480700  0.98894000  0.08082400  1
  O  O36  1  0.83805400  0.55958000  0.05049200  1
  O  O37  1  0.50303100  0.91731600  0.05771500  1
  O  O38  1  0.80262100  0.93914700  0.37955200  1
  O  O39  1  0.54010600  0.68400900  0.13828500  1
  O  O40  1  0.86717700  0.32547900  0.12926400  1
  O  O41  1  0.66639100  0.44233600  0.19463400  1
  O  O42  1  0.91386000  0.69557100  0.44218200  1
  O  O43  1  0.32797000  0.78197200  0.19157300  1
  O  O44  1  0.07913400  0.82582500  0.29948900  1
  O  O45  1  0.98827600  0.41142300  0.54813700  1
  O  O46  1  0.73370300  0.14951000  0.28850800  1
  O  O47  1  0.26223800  0.37246100  0.17768900  1
  O  O48  1  0.51727500  0.62628000  0.43156200  1
  O  O49  1  0.77132600  0.88108300  0.67906600  1
  O  O50  1  0.60354300  0.40805700  0.49350600  1
  O  O51  1  0.35457500  0.16028300  0.24498100  1
  O  O52  1  0.85490100  0.66084800  0.74174900  1
  O  O53  1  0.12913200  0.60040900  0.38288800  1
  O  O54  1  0.38406600  0.85546600  0.63848600  1
  O  O55  1  0.16690700  0.94913000  0.69370100  1
  O  O56  1  0.58570200  0.02646300  0.44414600  1
  O  O57  1  0.83495200  0.27787100  0.69615600  1
  O  O58  1  0.13293400  0.21723700  0.32767100  1
  O  O59  1  0.37833200  0.46307400  0.57280300  1
  O  O60  1  0.62046800  0.70905700  0.80667300  1
  O  O61  1  0.33151300  0.07568300  0.54861800  1
  O  O62  1  0.58022900  0.31755600  0.79903800  1
  O  O63  1  0.24137600  0.66357700  0.80129300  1
  O  O64  1  0.10069700  0.91310600  0.99592300  1
  O  O65  1  0.05085700  0.19132900  0.62859800  1
  O  O66  1  0.30164700  0.43963600  0.87782200  1
  O  O67  1  0.63944100  0.10539600  0.89900900  1
  O  O68  1  0.41738600  0.19653100  0.94704600  1
  O  O69  1  0.08593500  0.52541300  0.94563600  1
  O  O70  1  0.01576100  0.12715700  0.92412500  1
