# generated using pymatgen
data_Li3Fe(BO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97547400
_cell_length_b   7.12291422
_cell_length_c   9.42600146
_cell_angle_alpha   80.67781865
_cell_angle_beta   111.07525405
_cell_angle_gamma   118.02909594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO2)5
_chemical_formula_sum   'Li6 Fe2 B10 O20'
_cell_volume   385.73870434
_cell_formula_units_Z   2
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  0.23833700  0.50347100  0.75046400  1
  Li  Li1  1  0.80308100  0.99304500  0.83406100  1
  Li  Li2  1  0.02561700  0.81476600  0.53625000  1
  Li  Li3  1  0.97438300  0.18523400  0.46375000  1
  Li  Li4  1  0.19691900  0.00695500  0.16593900  1
  Li  Li5  1  0.76166300  0.49652900  0.24953600  1
  Fe  Fe6  1  0.21485900  0.47545900  0.11799000  1
  Fe  Fe7  1  0.78514100  0.52454100  0.88201000  1
  B  B8  1  0.30708600  0.19145300  0.92739800  1
  B  B9  1  0.41042500  0.14094700  0.70904900  1
  B  B10  1  0.36131500  0.24471400  0.43216400  1
  B  B11  1  0.21831500  0.83115200  0.86429800  1
  B  B12  1  0.74295200  0.28195700  0.60279600  1
  B  B13  1  0.25704800  0.71804300  0.39720400  1
  B  B14  1  0.78168500  0.16884800  0.13570200  1
  B  B15  1  0.63868500  0.75528600  0.56783600  1
  B  B16  1  0.58957500  0.85905300  0.29095100  1
  B  B17  1  0.69291400  0.80854700  0.07260200  1
  O  O18  1  0.27896800  0.30202200  0.01146600  1
  O  O19  1  0.27185200  0.15805500  0.55191200  1
  O  O20  1  0.40773700  0.27709500  0.81324400  1
  O  O21  1  0.21684600  0.24704600  0.29363100  1
  O  O22  1  0.13224500  0.61988000  0.89365900  1
  O  O23  1  0.65551100  0.21697000  0.72648800  1
  O  O24  1  0.05088200  0.69772200  0.37904400  1
  O  O25  1  0.69315600  0.08725200  0.25357000  1
  O  O26  1  0.59768900  0.31634300  0.46172400  1
  O  O27  1  0.77522600  0.02894400  0.04322500  1
  O  O28  1  0.22477400  0.97105600  0.95677500  1
  O  O29  1  0.40231100  0.68365700  0.53827600  1
  O  O30  1  0.30684400  0.91274800  0.74643000  1
  O  O31  1  0.94911800  0.30227800  0.62095600  1
  O  O32  1  0.34448900  0.78303000  0.27351200  1
  O  O33  1  0.86775500  0.38012000  0.10634100  1
  O  O34  1  0.78315400  0.75295400  0.70636900  1
  O  O35  1  0.59226300  0.72290500  0.18675600  1
  O  O36  1  0.72814800  0.84194500  0.44808800  1
  O  O37  1  0.72103200  0.69797800  0.98853400  1
