# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30433400
_cell_length_b   9.03189138
_cell_length_c   11.38136133
_cell_angle_alpha   113.18123979
_cell_angle_beta   102.61677027
_cell_angle_gamma   89.38910099
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.40753481
_cell_formula_units_Z   1
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  0.16520000  0.83825800  0.65290000  1
  Li  Li1  1  0.60241400  0.95031000  0.91381500  1
  Li  Li2  1  0.67390600  0.33548200  0.65457900  1
  Fe  Fe3  1  0.40312100  0.73116500  0.13362700  1
  Fe  Fe4  1  0.09145000  0.77454400  0.88638800  1
  Fe  Fe5  1  0.85251900  0.85522000  0.37753900  1
  Fe  Fe6  1  0.65037300  0.64944500  0.62383400  1
  Fe  Fe7  1  0.34929200  0.34878400  0.36700800  1
  Fe  Fe8  1  0.14914200  0.15802500  0.62591700  1
  Fe  Fe9  1  0.91077900  0.22601300  0.13201100  1
  Fe  Fe10  1  0.59494200  0.27507000  0.87999200  1
  B  B11  1  0.65505900  0.98395200  0.63191600  1
  B  B12  1  0.88555300  0.89200900  0.12731600  1
  B  B13  1  0.14036000  0.48897300  0.62456300  1
  B  B14  1  0.40321800  0.39731100  0.12757300  1
  B  B15  1  0.86045000  0.52271600  0.38419400  1
  B  B16  1  0.59104100  0.60607900  0.87219100  1
  B  B17  1  0.35509500  0.01948200  0.38051000  1
  B  B18  1  0.10496900  0.10337500  0.87062600  1
  O  O19  1  0.11931200  0.85167300  0.09155800  1
  O  O20  1  0.47656600  0.87561400  0.33933800  1
  O  O21  1  0.22033500  0.96295400  0.86009300  1
  O  O22  1  0.52718700  0.85500900  0.63825900  1
  O  O23  1  0.88222300  0.96197600  0.58678500  1
  O  O24  1  0.78191400  0.79737900  0.18098400  1
  O  O25  1  0.29957200  0.53841600  0.13931000  1
  O  O26  1  0.03396400  0.64001500  0.66012800  1
  O  O27  1  0.69111900  0.71036100  0.82370200  1
  O  O28  1  0.63285500  0.52178600  0.43026300  1
  O  O29  1  0.95951200  0.66157900  0.38729300  1
  O  O30  1  0.40201200  0.65894100  0.94063600  1
  O  O31  1  0.61282600  0.34815900  0.06896500  1
  O  O32  1  0.38063600  0.47723200  0.58800500  1
  O  O33  1  0.30529200  0.29582700  0.17686500  1
  O  O34  1  0.97986800  0.38010300  0.34243800  1
  O  O35  1  0.68194500  0.45687800  0.84557800  1
  O  O36  1  0.22159500  0.21385900  0.83710900  1
  O  O37  1  0.12883500  0.01738400  0.42253800  1
  O  O38  1  0.45952700  0.15967300  0.38614200  1
  O  O39  1  0.01496900  0.36225200  0.62748200  1
  O  O40  1  0.75889400  0.01142600  0.10182400  1
  O  O41  1  0.55719000  0.13524900  0.67163900  1
  O  O42  1  0.86826100  0.13142400  0.90797200  1
