# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23599100
_cell_length_b   9.12560777
_cell_length_c   11.41365001
_cell_angle_alpha   113.25926687
_cell_angle_beta   103.00237196
_cell_angle_gamma   89.56189586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.18048326
_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  0.02967000  0.03110700  0.39555700  1
  Li  Li1  1  0.98456700  0.00657400  0.66141400  1
  Li  Li2  1  0.75346700  0.74085300  0.14717400  1
  Fe  Fe3  1  0.01804100  0.35625900  0.37233800  1
  Fe  Fe4  1  0.27346300  0.93465600  0.88614300  1
  Fe  Fe5  1  0.47081000  0.16302400  0.62946900  1
  Fe  Fe6  1  0.23426800  0.56031100  0.13094600  1
  Fe  Fe7  1  0.76483700  0.43676400  0.87311800  1
  Fe  Fe8  1  0.51771700  0.84673200  0.38649500  1
  Fe  Fe9  1  0.98060800  0.64653500  0.62857200  1
  Fe  Fe10  1  0.74570000  0.06825400  0.12763600  1
  B  B11  1  0.03190500  0.68829100  0.37750700  1
  B  B12  1  0.26906300  0.60703800  0.88136900  1
  B  B13  1  0.48968700  0.82050200  0.63436800  1
  B  B14  1  0.23526800  0.88542200  0.12896000  1
  B  B15  1  0.51511800  0.18438700  0.37539800  1
  B  B16  1  0.76369800  0.10372400  0.87394100  1
  B  B17  1  0.96491600  0.31064200  0.62028900  1
  B  B18  1  0.73036000  0.40297100  0.13037300  1
  O  O19  1  0.01083300  0.06875400  0.85289600  1
  O  O20  1  0.13394300  0.70701000  0.82597500  1
  O  O21  1  0.13105200  0.52388700  0.93117700  1
  O  O22  1  0.08081300  0.16950000  0.60218100  1
  O  O23  1  0.05013100  0.41942800  0.57494100  1
  O  O24  1  0.24175400  0.83714900  0.66893700  1
  O  O25  1  0.25397800  0.65246000  0.32565600  1
  O  O26  1  0.53029000  0.59578900  0.89028600  1
  O  O27  1  0.63864000  0.22346100  0.84300700  1
  O  O28  1  0.42933900  0.07261500  0.41741500  1
  O  O29  1  0.36201200  0.30193700  0.36596800  1
  O  O30  1  0.63430500  0.01649400  0.92236500  1
  O  O31  1  0.34699700  0.97382900  0.07423800  1
  O  O32  1  0.63550300  0.69738000  0.63807000  1
  O  O33  1  0.58179400  0.93353200  0.59652000  1
  O  O34  1  0.39314600  0.77573200  0.16449300  1
  O  O35  1  0.46921900  0.40641400  0.12382400  1
  O  O36  1  0.75803600  0.34721800  0.68142800  1
  O  O37  1  0.76417100  0.17177700  0.34421900  1
  O  O38  1  0.95300800  0.58673300  0.43193500  1
  O  O39  1  0.89875700  0.81438500  0.37111800  1
  O  O40  1  0.85245700  0.50455800  0.08743600  1
  O  O41  1  0.88071500  0.30557000  0.18005900  1
  O  O42  1  0.98550200  0.90115000  0.14619200  1
