# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21961100
_cell_length_b   9.11582655
_cell_length_c   11.38124327
_cell_angle_alpha   113.20155712
_cell_angle_beta   103.19882206
_cell_angle_gamma   89.46624391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   482.61515213
_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  0.29266200  0.27651700  0.91419600  1
  Li  Li1  1  0.97888300  0.00197900  0.65837200  1
  Li  Li2  1  0.76091400  0.74772100  0.15605600  1
  Fe  Fe3  1  0.02527700  0.35166600  0.37506100  1
  Fe  Fe4  1  0.26042900  0.92675600  0.87920900  1
  Fe  Fe5  1  0.46115900  0.16207100  0.62143700  1
  Fe  Fe6  1  0.25319700  0.55600400  0.13990400  1
  Fe  Fe7  1  0.77050400  0.44309600  0.87474000  1
  Fe  Fe8  1  0.50996100  0.85435300  0.38231700  1
  Fe  Fe9  1  0.98063600  0.64222700  0.63060300  1
  Fe  Fe10  1  0.73556000  0.07196800  0.12330500  1
  B  B11  1  0.01941600  0.68492200  0.38130500  1
  B  B12  1  0.27253500  0.59491800  0.87560000  1
  B  B13  1  0.48185000  0.81615300  0.62700500  1
  B  B14  1  0.23820400  0.89707800  0.13279100  1
  B  B15  1  0.52594100  0.18558800  0.36931200  1
  B  B16  1  0.77082400  0.11601100  0.88020600  1
  B  B17  1  0.96175600  0.31186000  0.62723100  1
  B  B18  1  0.73471200  0.39594300  0.12407600  1
  O  O19  1  0.01919500  0.09511500  0.85751700  1
  O  O20  1  0.12374000  0.69060100  0.82214300  1
  O  O21  1  0.14913800  0.49215500  0.91539900  1
  O  O22  1  0.09145400  0.18156200  0.62823200  1
  O  O23  1  0.04034200  0.41143500  0.57235300  1
  O  O24  1  0.23398800  0.83165200  0.65936900  1
  O  O25  1  0.26126000  0.67866200  0.34942800  1
  O  O26  1  0.53942900  0.60276800  0.89440000  1
  O  O27  1  0.61970700  0.23005900  0.84780800  1
  O  O28  1  0.46515900  0.07606300  0.41840700  1
  O  O29  1  0.37128500  0.30530300  0.37105100  1
  O  O30  1  0.65515500  0.02688500  0.93181700  1
  O  O31  1  0.36717700  0.98376400  0.08336500  1
  O  O32  1  0.63789700  0.70183600  0.63979300  1
  O  O33  1  0.57205900  0.92858900  0.58431100  1
  O  O34  1  0.38553800  0.79165500  0.17866400  1
  O  O35  1  0.46778100  0.37706600  0.10370600  1
  O  O36  1  0.74340200  0.34895400  0.68137000  1
  O  O37  1  0.75642500  0.17062300  0.32254100  1
  O  O38  1  0.95151100  0.57711100  0.43073900  1
  O  O39  1  0.84904400  0.79130400  0.35883000  1
  O  O40  1  0.85171800  0.50848200  0.09163200  1
  O  O41  1  0.89340000  0.29690800  0.17290000  1
  O  O42  1  0.97620900  0.90979600  0.13290200  1
