# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22355800
_cell_length_b   5.24776806
_cell_length_c   20.41596908
_cell_angle_alpha   90.63207833
_cell_angle_beta   90.80816625
_cell_angle_gamma   119.66937096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   486.11878805
_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  0.67691100  0.65368700  0.33006100  1
  Li  Li1  1  0.67423300  0.65076900  0.83118500  1
  Li  Li2  1  0.64925400  0.67500600  0.58413500  1
  Li  Li3  1  0.34214800  0.33608100  0.20488100  1
  Li  Li4  1  0.33401800  0.34570100  0.45660500  1
  Li  Li5  1  0.34139600  0.34950300  0.95859200  1
  Fe  Fe6  1  0.98827700  0.67441300  0.18807800  1
  Fe  Fe7  1  0.01012900  0.67262300  0.69250600  1
  Fe  Fe8  1  0.32941300  0.99525900  0.06723800  1
  Fe  Fe9  1  0.31581600  0.00601300  0.56667600  1
  Fe  Fe10  1  0.67476300  0.00091800  0.44166300  1
  Fe  Fe11  1  0.67957600  0.00537400  0.94058400  1
  Fe  Fe12  1  0.99187400  0.31989400  0.31503000  1
  Fe  Fe13  1  0.00762000  0.31912900  0.81366200  1
  B  B14  1  0.00026000  0.33733200  0.06320000  1
  B  B15  1  0.99519200  0.33659600  0.56473000  1
  B  B16  1  0.66675400  0.00425700  0.18778300  1
  B  B17  1  0.66899700  0.00659800  0.68769600  1
  B  B18  1  0.33936900  0.99804200  0.31280700  1
  B  B19  1  0.34269700  0.00024600  0.81337600  1
  B  B20  1  0.00502800  0.66795500  0.43860200  1
  B  B21  1  0.00466600  0.66668700  0.93951400  1
  O  O22  1  0.92811000  0.25798600  0.20508300  1
  O  O23  1  0.90063500  0.27225500  0.70984000  1
  O  O24  1  0.72689400  0.10161800  0.04489300  1
  O  O25  1  0.01961000  0.60015900  0.08305400  1
  O  O26  1  0.74074300  0.07170000  0.54970300  1
  O  O27  1  0.97270800  0.57890700  0.58700400  1
  O  O28  1  0.41869000  0.03111400  0.16751200  1
  O  O29  1  0.73182200  0.65122600  0.43233000  1
  O  O30  1  0.39872300  0.98441500  0.67145500  1
  O  O31  1  0.73708000  0.65677900  0.93092900  1
  O  O32  1  0.64141300  0.73290000  0.19088500  1
  O  O33  1  0.70297200  0.76434600  0.67967000  1
  O  O34  1  0.36030100  0.26928600  0.30585800  1
  O  O35  1  0.35434300  0.26517300  0.81585500  1
  O  O36  1  0.24946800  0.31180400  0.05834000  1
  O  O37  1  0.58722200  0.97922600  0.33349300  1
  O  O38  1  0.26992000  0.36220600  0.55661400  1
  O  O39  1  0.58629300  0.97327300  0.83141400  1
  O  O40  1  0.02819400  0.42008000  0.42370200  1
  O  O41  1  0.02854200  0.42043400  0.92323800  1
  O  O42  1  0.25229500  0.92949900  0.45947700  1
  O  O43  1  0.25402200  0.92332400  0.96272500  1
  O  O44  1  0.07604500  0.74176800  0.29739300  1
  O  O45  1  0.07726800  0.74508200  0.79245100  1
