# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22769400
_cell_length_b   5.24846768
_cell_length_c   20.23011269
_cell_angle_alpha   90.67790868
_cell_angle_beta   89.74715428
_cell_angle_gamma   119.22539442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   484.37074292
_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  0.67459900  0.65117000  0.32645600  1
  Li  Li1  1  0.64810500  0.67383200  0.58363200  1
  Li  Li2  1  0.33284800  0.34315400  0.45136400  1
  Fe  Fe3  1  0.00058600  0.67350100  0.18810800  1
  Fe  Fe4  1  0.01258100  0.67353800  0.69177300  1
  Fe  Fe5  1  0.32731100  0.00023100  0.06406700  1
  Fe  Fe6  1  0.31617000  0.00419900  0.56612600  1
  Fe  Fe7  1  0.67813300  0.00707600  0.43916600  1
  Fe  Fe8  1  0.67431800  0.00331800  0.93924500  1
  Fe  Fe9  1  0.00933900  0.31937800  0.30945100  1
  Fe  Fe10  1  0.99946100  0.32805800  0.81612900  1
  B  B11  1  0.00110800  0.34333200  0.06290700  1
  B  B12  1  0.99557500  0.33407800  0.56553700  1
  B  B13  1  0.66316600  0.00290100  0.18630200  1
  B  B14  1  0.66612000  0.00632800  0.69007200  1
  B  B15  1  0.34495300  0.99797500  0.31260700  1
  B  B16  1  0.33958900  0.00027600  0.81483600  1
  B  B17  1  0.00463700  0.66889000  0.43887700  1
  B  B18  1  0.00213300  0.66279700  0.93875000  1
  O  O19  1  0.88780800  0.27320400  0.20682900  1
  O  O20  1  0.88393100  0.26903600  0.71712500  1
  O  O21  1  0.73268600  0.12636600  0.03648900  1
  O  O22  1  0.01081800  0.60165500  0.08528200  1
  O  O23  1  0.74325600  0.07570600  0.54982700  1
  O  O24  1  0.97293200  0.57593300  0.58989500  1
  O  O25  1  0.40088600  0.98705300  0.16398800  1
  O  O26  1  0.73596700  0.65894000  0.43283200  1
  O  O27  1  0.40197500  0.98535400  0.67092200  1
  O  O28  1  0.76953500  0.70521300  0.93552900  1
  O  O29  1  0.69284900  0.76035600  0.18815000  1
  O  O30  1  0.71336800  0.77454400  0.68074600  1
  O  O31  1  0.35169100  0.26136700  0.31714300  1
  O  O32  1  0.30175900  0.23602700  0.81582000  1
  O  O33  1  0.23389800  0.30019300  0.06515400  1
  O  O34  1  0.58928600  0.97518400  0.33081500  1
  O  O35  1  0.26977000  0.36017900  0.55775900  1
  O  O36  1  0.59669400  0.00953700  0.83760500  1
  O  O37  1  0.02339800  0.42033500  0.42257900  1
  O  O38  1  0.98944200  0.40357800  0.91503400  1
  O  O39  1  0.25222600  0.92366600  0.46070100  1
  O  O40  1  0.26993200  0.87653800  0.96482700  1
  O  O41  1  0.08732200  0.74646900  0.29012100  1
  O  O42  1  0.11761600  0.73056300  0.79012200  1
