# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25036600
_cell_length_b   9.20612315
_cell_length_c   10.08471667
_cell_angle_alpha   89.19800698
_cell_angle_beta   88.85406104
_cell_angle_gamma   88.55363587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.15282607
_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  0.32436500  0.32868500  0.41196100  1
  Li  Li1  1  0.32563300  0.32501900  0.91866300  1
  Li  Li2  1  0.82899900  0.82419500  0.90152700  1
  Fe  Fe3  1  0.17505000  0.83636600  0.63479400  1
  Fe  Fe4  1  0.18341200  0.50230900  0.12832000  1
  Fe  Fe5  1  0.31274400  0.00193000  0.87832900  1
  Fe  Fe6  1  0.32647400  0.66836400  0.37515100  1
  Fe  Fe7  1  0.67680000  0.33390100  0.63611400  1
  Fe  Fe8  1  0.66616800  0.00495400  0.12618000  1
  Fe  Fe9  1  0.83518200  0.15792200  0.37513000  1
  Fe  Fe10  1  0.82129000  0.50134000  0.87998700  1
  B  B11  1  0.16534700  0.50226700  0.61933900  1
  B  B12  1  0.16570200  0.83664500  0.12971600  1
  B  B13  1  0.34227000  0.00156200  0.38189800  1
  B  B14  1  0.33345200  0.66452400  0.87526000  1
  B  B15  1  0.66159900  0.00226500  0.62969400  1
  B  B16  1  0.67665600  0.32823300  0.12520600  1
  B  B17  1  0.83253200  0.49422700  0.37814000  1
  B  B18  1  0.82703200  0.16823000  0.87763200  1
  O  O19  1  0.09571900  0.49465400  0.35300700  1
  O  O20  1  0.08350100  0.17634200  0.87767000  1
  O  O21  1  0.18407300  0.78840100  0.83434000  1
  O  O22  1  0.24443600  0.87130900  0.42870600  1
  O  O23  1  0.19738900  0.12857100  0.38277900  1
  O  O24  1  0.20864600  0.53821800  0.91016200  1
  O  O25  1  0.32912100  0.38384600  0.61082900  1
  O  O26  1  0.32630400  0.94582800  0.08659500  1
  O  O27  1  0.24844800  0.63829600  0.57749700  1
  O  O28  1  0.26567800  0.71050400  0.18532300  1
  O  O29  1  0.41899900  0.33174600  0.11451500  1
  O  O30  1  0.40850500  0.99211700  0.66769700  1
  O  O31  1  0.59387100  0.00230000  0.33379300  1
  O  O32  1  0.59016300  0.67551300  0.87954200  1
  O  O33  1  0.67270600  0.28604400  0.83106600  1
  O  O34  1  0.72817300  0.35863800  0.41871000  1
  O  O35  1  0.67591200  0.61170000  0.36809200  1
  O  O36  1  0.69602500  0.04600800  0.92464500  1
  O  O37  1  0.83142400  0.43637100  0.08183500  1
  O  O38  1  0.82839500  0.88961700  0.64712700  1
  O  O39  1  0.74279400  0.13554800  0.57388800  1
  O  O40  1  0.79355000  0.19679800  0.17793800  1
  O  O41  1  0.90795900  0.85107800  0.10808000  1
  O  O42  1  0.91678500  0.48564600  0.66374100  1
