# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29709700
_cell_length_b   9.09203835
_cell_length_c   10.12415218
_cell_angle_alpha   89.41527998
_cell_angle_beta   89.80686981
_cell_angle_gamma   89.74457020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.56050277
_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  0.65192600  0.98575300  0.83315800  1
  Li  Li1  1  0.15668000  0.49023400  0.84398100  1
  Li  Li2  1  0.64539000  0.00653100  0.33378000  1
  Fe  Fe3  1  0.84668600  0.83005000  0.11974000  1
  Fe  Fe4  1  0.15843300  0.83618500  0.37196100  1
  Fe  Fe5  1  0.66277800  0.65431300  0.87565300  1
  Fe  Fe6  1  0.34527300  0.67062900  0.62197300  1
  Fe  Fe7  1  0.66160600  0.34325100  0.36915600  1
  Fe  Fe8  1  0.85071100  0.17105100  0.62186600  1
  Fe  Fe9  1  0.33586800  0.33578000  0.11937500  1
  Fe  Fe10  1  0.16133400  0.15374500  0.87411500  1
  B  B11  1  0.83886200  0.83116600  0.62726000  1
  B  B12  1  0.66157300  0.67080500  0.37195000  1
  B  B13  1  0.16588600  0.82997800  0.87222100  1
  B  B14  1  0.33824700  0.66825900  0.11918800  1
  B  B15  1  0.66655900  0.32771200  0.87079100  1
  B  B16  1  0.34489600  0.33234700  0.62394500  1
  B  B17  1  0.83761400  0.17033200  0.12924100  1
  B  B18  1  0.17490800  0.17033800  0.37010600  1
  O  O19  1  0.74793200  0.97331100  0.63911000  1
  O  O20  1  0.91255200  0.83348900  0.91760700  1
  O  O21  1  0.30564800  0.95516400  0.86949100  1
  O  O22  1  0.77593300  0.79977900  0.32278700  1
  O  O23  1  0.69015600  0.71559600  0.67086100  1
  O  O24  1  0.19359800  0.78623900  0.16278300  1
  O  O25  1  0.07608100  0.80621900  0.57706700  1
  O  O26  1  0.58469200  0.69199900  0.07739100  1
  O  O27  1  0.77549700  0.53591400  0.36185700  1
  O  O28  1  0.42682800  0.68485500  0.43067600  1
  O  O29  1  0.26846800  0.69644000  0.82891200  1
  O  O30  1  0.80340500  0.45235300  0.86824200  1
  O  O31  1  0.23549800  0.53108200  0.11206600  1
  O  O32  1  0.68938600  0.29035400  0.17068900  1
  O  O33  1  0.58265600  0.30716200  0.56533900  1
  O  O34  1  0.26245800  0.46962000  0.65085000  1
  O  O35  1  0.41644600  0.32423400  0.91858100  1
  O  O36  1  0.91687800  0.18190600  0.41245700  1
  O  O37  1  0.77079500  0.19421200  0.82294200  1
  O  O38  1  0.29661800  0.29976300  0.32693900  1
  O  O39  1  0.19893500  0.21181900  0.66072700  1
  O  O40  1  0.74574900  0.03131500  0.14422800  1
  O  O41  1  0.07343100  0.19609300  0.07632300  1
  O  O42  1  0.29408100  0.03947100  0.37082500  1
