# generated using pymatgen
data_Li9Fe4(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26558800
_cell_length_b   8.30033521
_cell_length_c   8.88062092
_cell_angle_alpha   67.78116604
_cell_angle_beta   68.33524824
_cell_angle_gamma   74.82267451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Fe4(BO3)8
_chemical_formula_sum   'Li9 Fe4 B8 O24'
_cell_volume   518.87497116
_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  0.66774300  0.00549800  0.26727100  1
  Li  Li1  1  0.48697200  0.31625800  0.08753000  1
  Li  Li2  1  0.99150100  0.17732200  0.92095000  1
  Li  Li3  1  0.15873700  0.49146400  0.60527600  1
  Li  Li4  1  0.88116000  0.48909700  0.49290700  1
  Li  Li5  1  0.99882400  0.80244300  0.08440100  1
  Li  Li6  1  0.49507100  0.66711900  0.92184100  1
  Li  Li7  1  0.31748300  0.98814500  0.72222200  1
  Li  Li8  1  0.66042700  0.98468600  0.61358100  1
  Fe  Fe9  1  0.49139600  0.33823500  0.72517500  1
  Fe  Fe10  1  0.99178000  0.83907300  0.72704400  1
  Fe  Fe11  1  0.01112000  0.16419600  0.27629100  1
  Fe  Fe12  1  0.51190400  0.66492500  0.27822200  1
  B  B13  1  0.04904600  0.20053500  0.57774000  1
  B  B14  1  0.46240400  0.29277000  0.43556800  1
  B  B15  1  0.71450300  0.04593700  0.91299000  1
  B  B16  1  0.78515900  0.44607500  0.09073300  1
  B  B17  1  0.21545500  0.54446100  0.90455800  1
  B  B18  1  0.55227900  0.70994000  0.56668700  1
  B  B19  1  0.28434900  0.94618700  0.08082700  1
  B  B20  1  0.95060400  0.80385900  0.42991400  1
  O  O21  1  0.23159900  0.04465300  0.19082400  1
  O  O22  1  0.12753100  0.02510100  0.62281500  1
  O  O23  1  0.98957900  0.27132300  0.43474300  1
  O  O24  1  0.51155100  0.21489600  0.31635000  1
  O  O25  1  0.48367200  0.19647900  0.59938000  1
  O  O26  1  0.31611300  0.50568100  0.00711300  1
  O  O27  1  0.92386200  0.31114500  0.09203000  1
  O  O28  1  0.02583000  0.30549200  0.67088100  1
  O  O29  1  0.57620300  0.18623800  0.90761400  1
  O  O30  1  0.38729200  0.47001000  0.41471700  1
  O  O31  1  0.73934700  0.54806500  0.19581100  1
  O  O32  1  0.25810100  0.45621300  0.78653900  1
  O  O33  1  0.62215400  0.52986500  0.60254900  1
  O  O34  1  0.01220200  0.72447600  0.57145900  1
  O  O35  1  0.42314800  0.80824800  0.09408600  1
  O  O36  1  0.68370100  0.48441400  0.98727200  1
  O  O37  1  0.52790700  0.79526600  0.40578200  1
  O  O38  1  0.96424300  0.71002800  0.33082600  1
  O  O39  1  0.07439800  0.67917300  0.90810500  1
  O  O40  1  0.80228800  0.00326600  0.02859900  1
  O  O41  1  0.51680500  0.79912500  0.67752700  1
  O  O42  1  0.86370300  0.97881600  0.40007600  1
  O  O43  1  0.20035400  0.97977800  0.96382200  1
  O  O44  1  0.76057300  0.95919300  0.79149100  1
