# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23343500
_cell_length_b   9.15704940
_cell_length_c   10.08004710
_cell_angle_alpha   89.90292244
_cell_angle_beta   89.40948199
_cell_angle_gamma   89.06188163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   482.97334683
_cell_formula_units_Z   2
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  0.33541700  0.32317300  0.89814500  1
  Li  Li1  1  0.65805100  0.67736400  0.65282400  1
  Fe  Fe2  1  0.14895200  0.84725200  0.62779200  1
  Fe  Fe3  1  0.17070700  0.50201400  0.13077400  1
  Fe  Fe4  1  0.32139200  0.98756500  0.87666900  1
  Fe  Fe5  1  0.33476600  0.66565200  0.38016600  1
  Fe  Fe6  1  0.67577100  0.33345200  0.62903800  1
  Fe  Fe7  1  0.67218600  0.99942200  0.12684600  1
  Fe  Fe8  1  0.83522500  0.16007400  0.37704900  1
  Fe  Fe9  1  0.82310800  0.50735100  0.88298700  1
  B  B10  1  0.17337300  0.50416600  0.62795400  1
  B  B11  1  0.17122800  0.82872200  0.12815000  1
  B  B12  1  0.33988700  0.99869900  0.37314400  1
  B  B13  1  0.32474400  0.66586300  0.87333000  1
  B  B14  1  0.64866200  0.99882000  0.62793600  1
  B  B15  1  0.66858800  0.33032500  0.12717800  1
  B  B16  1  0.84139000  0.49725300  0.38116400  1
  B  B17  1  0.82804200  0.16738100  0.88000000  1
  O  O18  1  0.09526200  0.50433800  0.33486700  1
  O  O19  1  0.08808500  0.15560900  0.88265600  1
  O  O20  1  0.18473700  0.79273100  0.84261800  1
  O  O21  1  0.25501100  0.86673700  0.42211500  1
  O  O22  1  0.18380400  0.11865200  0.37074600  1
  O  O23  1  0.19857400  0.54401500  0.92880700  1
  O  O24  1  0.32650800  0.38472600  0.65081300  1
  O  O25  1  0.33088000  0.93667800  0.07617000  1
  O  O26  1  0.27829900  0.63393700  0.58041000  1
  O  O27  1  0.28719400  0.69963500  0.17567100  1
  O  O28  1  0.41035400  0.34426600  0.10806800  1
  O  O29  1  0.40550100  0.00575600  0.68633100  1
  O  O30  1  0.59428800  0.00503400  0.32754600  1
  O  O31  1  0.57676800  0.65905100  0.84392600  1
  O  O32  1  0.70488300  0.29314800  0.82939500  1
  O  O33  1  0.75350100  0.36224000  0.42911500  1
  O  O34  1  0.68479300  0.61575900  0.38283100  1
  O  O35  1  0.66940700  0.05874800  0.93022500  1
  O  O36  1  0.82648900  0.44429100  0.08976200  1
  O  O37  1  0.77945100  0.87175900  0.62045200  1
  O  O38  1  0.74711300  0.13015300  0.57561000  1
  O  O39  1  0.78034200  0.20148300  0.17499200  1
  O  O40  1  0.91525900  0.84896000  0.13105200  1
  O  O41  1  0.91065400  0.50144800  0.65860200  1
