# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23208400
_cell_length_b   9.12214192
_cell_length_c   10.14419290
_cell_angle_alpha   89.79450844
_cell_angle_beta   89.68625013
_cell_angle_gamma   88.99369502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   484.07525953
_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  0.18495600  0.16825900  0.15263000  1
  Li  Li1  1  0.65267600  0.67606800  0.65241800  1
  Fe  Fe2  1  0.14619200  0.85040800  0.62660600  1
  Fe  Fe3  1  0.16976900  0.51362200  0.12846200  1
  Fe  Fe4  1  0.32669800  0.00020100  0.87820100  1
  Fe  Fe5  1  0.33121600  0.66792300  0.37683700  1
  Fe  Fe6  1  0.67007700  0.33036900  0.62875200  1
  Fe  Fe7  1  0.68740500  0.97948600  0.12721100  1
  Fe  Fe8  1  0.82382700  0.15790100  0.37844600  1
  Fe  Fe9  1  0.83615700  0.49133700  0.87952300  1
  B  B10  1  0.17212300  0.50310500  0.62674000  1
  B  B11  1  0.17283900  0.82736400  0.12643700  1
  B  B12  1  0.33499000  0.99636400  0.36990000  1
  B  B13  1  0.32903700  0.66729500  0.87394100  1
  B  B14  1  0.64240600  0.99936200  0.62951700  1
  B  B15  1  0.67062500  0.33177100  0.13034900  1
  B  B16  1  0.83808400  0.49889800  0.38119900  1
  B  B17  1  0.82866300  0.16693500  0.88117700  1
  O  O18  1  0.08434800  0.51121500  0.32561100  1
  O  O19  1  0.08521000  0.15515000  0.89356700  1
  O  O20  1  0.22153400  0.79990200  0.83946800  1
  O  O21  1  0.24334700  0.86668500  0.42111100  1
  O  O22  1  0.17428600  0.11416700  0.34884100  1
  O  O23  1  0.17409800  0.55943700  0.93195300  1
  O  O24  1  0.32093900  0.38097600  0.63519400  1
  O  O25  1  0.30141100  0.95433100  0.08616300  1
  O  O26  1  0.26913200  0.63444700  0.57813300  1
  O  O27  1  0.32379600  0.70314600  0.17212500  1
  O  O28  1  0.40984700  0.34872200  0.13623900  1
  O  O29  1  0.39728400  0.01225700  0.68143100  1
  O  O30  1  0.59145900  0.00485200  0.33662600  1
  O  O31  1  0.57981100  0.63425500  0.84636200  1
  O  O32  1  0.72143800  0.29714000  0.82526000  1
  O  O33  1  0.76712800  0.36314200  0.43414600  1
  O  O34  1  0.67825600  0.61578300  0.38700200  1
  O  O35  1  0.66555800  0.06086200  0.92602000  1
  O  O36  1  0.82372800  0.44144800  0.07327600  1
  O  O37  1  0.77309700  0.87016000  0.62701400  1
  O  O38  1  0.75415900  0.12839200  0.57713600  1
  O  O39  1  0.79904700  0.20819900  0.17848800  1
  O  O40  1  0.91985200  0.81384200  0.12469700  1
  O  O41  1  0.91166000  0.50298700  0.67011500  1
