# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23290000
_cell_length_b   9.18009257
_cell_length_c   10.12394120
_cell_angle_alpha   89.14706580
_cell_angle_beta   89.76995470
_cell_angle_gamma   88.90169357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   486.19240286
_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  0.32095400  0.33389000  0.40782400  1
  Li  Li1  1  0.66058000  0.67277000  0.65441600  1
  Fe  Fe2  1  0.16559200  0.84423500  0.62538600  1
  Fe  Fe3  1  0.17052800  0.50272500  0.13174300  1
  Fe  Fe4  1  0.32887400  0.99573600  0.87890900  1
  Fe  Fe5  1  0.34507600  0.66865000  0.37442300  1
  Fe  Fe6  1  0.66034800  0.33279100  0.63154300  1
  Fe  Fe7  1  0.66616300  0.00192700  0.12664200  1
  Fe  Fe8  1  0.82997300  0.15690000  0.37678900  1
  Fe  Fe9  1  0.83146300  0.49196200  0.87942200  1
  B  B10  1  0.16282000  0.50825400  0.62704100  1
  B  B11  1  0.16567200  0.82969100  0.12468400  1
  B  B12  1  0.33394500  0.00668300  0.37971400  1
  B  B13  1  0.32171000  0.66661200  0.87360800  1
  B  B14  1  0.66095900  0.99468300  0.62599700  1
  B  B15  1  0.67410600  0.32973300  0.13021800  1
  B  B16  1  0.83841000  0.49234300  0.37647700  1
  B  B17  1  0.82995300  0.16723700  0.87976600  1
  O  O18  1  0.09408200  0.48710200  0.33108400  1
  O  O19  1  0.08455100  0.14421300  0.87151000  1
  O  O20  1  0.20803700  0.79870700  0.83202900  1
  O  O21  1  0.24039200  0.87943400  0.43406600  1
  O  O22  1  0.19268700  0.13402900  0.37727600  1
  O  O23  1  0.16853800  0.56048000  0.93157400  1
  O  O24  1  0.29463400  0.38342900  0.60323700  1
  O  O25  1  0.32673300  0.93824900  0.07415400  1
  O  O26  1  0.27521900  0.64351200  0.59504900  1
  O  O27  1  0.27818300  0.69970000  0.16774000  1
  O  O28  1  0.41954500  0.35248400  0.14152900  1
  O  O29  1  0.41153700  0.99466200  0.67776200  1
  O  O30  1  0.58225100  0.00498800  0.32680600  1
  O  O31  1  0.57580300  0.64023200  0.85262100  1
  O  O32  1  0.71761700  0.29819100  0.83771800  1
  O  O33  1  0.72741800  0.35712800  0.41318400  1
  O  O34  1  0.70644600  0.61708600  0.39028100  1
  O  O35  1  0.66927200  0.05897300  0.93007900  1
  O  O36  1  0.83056200  0.43807400  0.07628700  1
  O  O37  1  0.80466300  0.86830900  0.63368700  1
  O  O38  1  0.75158100  0.12095800  0.56947200  1
  O  O39  1  0.79140400  0.19859300  0.17293300  1
  O  O40  1  0.91096400  0.85379400  0.13132000  1
  O  O41  1  0.91252500  0.51018500  0.67792700  1
