# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23620200
_cell_length_b   9.11799332
_cell_length_c   10.22588405
_cell_angle_alpha   89.96547031
_cell_angle_beta   89.64374122
_cell_angle_gamma   89.22304535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   488.16668853
_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  0.16074100  0.17817100  0.66938300  1
  Li  Li1  1  0.18949200  0.17267400  0.17250900  1
  Fe  Fe2  1  0.16941300  0.83283700  0.62750100  1
  Fe  Fe3  1  0.17365600  0.50863200  0.12617500  1
  Fe  Fe4  1  0.32326400  0.99169900  0.88103100  1
  Fe  Fe5  1  0.33178900  0.66375600  0.37483300  1
  Fe  Fe6  1  0.66791600  0.34368800  0.62640600  1
  Fe  Fe7  1  0.67136100  0.99650000  0.12793400  1
  Fe  Fe8  1  0.82465400  0.15657200  0.38341800  1
  Fe  Fe9  1  0.82803100  0.49248700  0.88005300  1
  B  B10  1  0.15794800  0.49678200  0.62493600  1
  B  B11  1  0.16545100  0.83556600  0.13098200  1
  B  B12  1  0.33999800  0.99259800  0.37202300  1
  B  B13  1  0.32942700  0.66308500  0.87396500  1
  B  B14  1  0.66703400  0.00527100  0.63079800  1
  B  B15  1  0.67557900  0.32696100  0.12601500  1
  B  B16  1  0.83784100  0.49988700  0.37666000  1
  B  B17  1  0.81570100  0.16914000  0.87524600  1
  O  O18  1  0.08621100  0.50662700  0.32102900  1
  O  O19  1  0.06870700  0.15381100  0.85295500  1
  O  O20  1  0.21981000  0.78633000  0.81642700  1
  O  O21  1  0.25406300  0.86308500  0.43260900  1
  O  O22  1  0.18728200  0.11217900  0.35864300  1
  O  O23  1  0.16758500  0.56111300  0.93472000  1
  O  O24  1  0.30666800  0.37225100  0.62603800  1
  O  O25  1  0.30846000  0.95716900  0.09255100  1
  O  O26  1  0.24077200  0.62668900  0.56903800  1
  O  O27  1  0.29376000  0.70734400  0.17328500  1
  O  O28  1  0.41460400  0.34435800  0.13365100  1
  O  O29  1  0.40427200  0.00489200  0.65917100  1
  O  O30  1  0.58728000  0.99351800  0.32217100  1
  O  O31  1  0.58422000  0.64054300  0.87425400  1
  O  O32  1  0.69033500  0.29927300  0.82886600  1
  O  O33  1  0.76856300  0.37223700  0.44052600  1
  O  O34  1  0.67663200  0.61627800  0.36765000  1
  O  O35  1  0.66769600  0.06453300  0.93817000  1
  O  O36  1  0.82993100  0.43796900  0.07549400  1
  O  O37  1  0.82074700  0.88505700  0.63575100  1
  O  O38  1  0.77634600  0.14047900  0.59470500  1
  O  O39  1  0.80144500  0.19974900  0.16782400  1
  O  O40  1  0.90857500  0.84223800  0.12688200  1
  O  O41  1  0.91490900  0.49414200  0.68204100  1
