# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24270900
_cell_length_b   9.10460372
_cell_length_c   10.21524806
_cell_angle_alpha   89.18095857
_cell_angle_beta   89.74915466
_cell_angle_gamma   89.12005146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.49073493
_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  0.32340900  0.33089700  0.40721300  1
  Li  Li1  1  0.66115800  0.67836800  0.66770500  1
  Li  Li2  1  0.68601900  0.67286300  0.16881200  1
  Fe  Fe3  1  0.16436800  0.84544300  0.62670100  1
  Fe  Fe4  1  0.17207800  0.49663700  0.12583200  1
  Fe  Fe5  1  0.32716100  0.99356400  0.88068000  1
  Fe  Fe6  1  0.31144000  0.66693000  0.38097200  1
  Fe  Fe7  1  0.67370400  0.33095200  0.62918400  1
  Fe  Fe8  1  0.67259800  0.00830000  0.12828700  1
  Fe  Fe9  1  0.84129600  0.15165900  0.37566000  1
  Fe  Fe10  1  0.82310300  0.49321000  0.88130800  1
  B  B11  1  0.16750900  0.50531300  0.62498900  1
  B  B12  1  0.17078900  0.82609000  0.12421800  1
  B  B13  1  0.34208100  0.00544700  0.37868000  1
  B  B14  1  0.32145700  0.66839400  0.87454900  1
  B  B15  1  0.65888800  0.99737200  0.63024700  1
  B  B16  1  0.67195600  0.33466100  0.13303700  1
  B  B17  1  0.82887000  0.49197200  0.37437900  1
  B  B18  1  0.82753900  0.16291800  0.87454400  1
  O  O19  1  0.09125300  0.48627000  0.33763700  1
  O  O20  1  0.08462200  0.14272300  0.87308100  1
  O  O21  1  0.19239600  0.79824500  0.83105900  1
  O  O22  1  0.24608200  0.87725800  0.43664500  1
  O  O23  1  0.21292600  0.13504700  0.38525400  1
  O  O24  1  0.17942000  0.55888200  0.93645000  1
  O  O25  1  0.31598700  0.38180700  0.61413300  1
  O  O26  1  0.32767000  0.93636800  0.07446500  1
  O  O27  1  0.27980900  0.64209100  0.59719600  1
  O  O28  1  0.29563600  0.69673300  0.16725000  1
  O  O29  1  0.41292000  0.34621100  0.14209600  1
  O  O30  1  0.41102300  0.99302200  0.68150500  1
  O  O31  1  0.57994900  0.99569700  0.31654700  1
  O  O32  1  0.57507400  0.65426000  0.85374900  1
  O  O33  1  0.71653200  0.28912600  0.82052300  1
  O  O34  1  0.71866800  0.36445900  0.42814400  1
  O  O35  1  0.68979900  0.61656800  0.35282700  1
  O  O36  1  0.66899300  0.05630700  0.93103900  1
  O  O37  1  0.81058100  0.45992300  0.09460100  1
  O  O38  1  0.80392700  0.87039700  0.62860400  1
  O  O39  1  0.75027800  0.12803300  0.58205700  1
  O  O40  1  0.79970400  0.20474600  0.16213500  1
  O  O41  1  0.91231100  0.84217500  0.13059600  1
  O  O42  1  0.90787800  0.50277400  0.65681500  1
