# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21989900
_cell_length_b   9.11484674
_cell_length_c   10.19454819
_cell_angle_alpha   89.31346867
_cell_angle_beta   89.44860687
_cell_angle_gamma   89.42140935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   484.96066961
_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  0.14930500  0.17299800  0.65824700  1
  Li  Li1  1  0.18678500  0.16972900  0.16974900  1
  Li  Li2  1  0.33400100  0.32593300  0.90543100  1
  Fe  Fe3  1  0.16586000  0.82685800  0.63214400  1
  Fe  Fe4  1  0.18893400  0.50828000  0.13150200  1
  Fe  Fe5  1  0.32042400  0.98891000  0.87926700  1
  Fe  Fe6  1  0.33719200  0.66287000  0.37684800  1
  Fe  Fe7  1  0.65280300  0.35218600  0.62127400  1
  Fe  Fe8  1  0.67130600  0.99524600  0.12367600  1
  Fe  Fe9  1  0.81462300  0.16223200  0.38396700  1
  Fe  Fe10  1  0.83325000  0.50172600  0.87899000  1
  B  B11  1  0.15007400  0.49779800  0.63000300  1
  B  B12  1  0.16689500  0.83938600  0.13549100  1
  B  B13  1  0.32930000  0.99395300  0.37752300  1
  B  B14  1  0.33920100  0.65941800  0.87235200  1
  B  B15  1  0.66655200  0.00214400  0.62888500  1
  B  B16  1  0.67604200  0.32187000  0.11860500  1
  B  B17  1  0.84168800  0.50027500  0.37399600  1
  B  B18  1  0.82482600  0.17457200  0.87949300  1
  O  O19  1  0.09800300  0.50689800  0.33587400  1
  O  O20  1  0.08721500  0.16846700  0.86194000  1
  O  O21  1  0.21410400  0.78384800  0.82428300  1
  O  O22  1  0.24702200  0.86374200  0.43460400  1
  O  O23  1  0.16765700  0.11190400  0.36026100  1
  O  O24  1  0.19671900  0.53782800  0.91582200  1
  O  O25  1  0.28024500  0.36778600  0.63134200  1
  O  O26  1  0.30478400  0.96499600  0.09337400  1
  O  O27  1  0.25621900  0.62663800  0.57696700  1
  O  O28  1  0.30049600  0.71787500  0.18082100  1
  O  O29  1  0.41342200  0.32245400  0.10845100  1
  O  O30  1  0.40284700  0.00259000  0.66027400  1
  O  O31  1  0.58201700  0.00527900  0.33173400  1
  O  O32  1  0.59766800  0.65507400  0.88088800  1
  O  O33  1  0.68798900  0.30184700  0.84199000  1
  O  O34  1  0.74637100  0.36460300  0.41594600  1
  O  O35  1  0.68660700  0.62019800  0.37319400  1
  O  O36  1  0.68656300  0.05898800  0.93351200  1
  O  O37  1  0.82686400  0.43521000  0.07405800  1
  O  O38  1  0.81838400  0.88214700  0.64047300  1
  O  O39  1  0.77746900  0.13454700  0.58186700  1
  O  O40  1  0.80508900  0.19599700  0.17279500  1
  O  O41  1  0.90818000  0.84388500  0.13022700  1
  O  O42  1  0.90474300  0.50529800  0.68326200  1
