# generated using pymatgen
data_LiFe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21654000
_cell_length_b   9.18765843
_cell_length_c   10.20243736
_cell_angle_alpha   89.93298622
_cell_angle_beta   89.92993051
_cell_angle_gamma   89.01908396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(BO3)8
_chemical_formula_sum   'Li1 Fe8 B8 O24'
_cell_volume   488.90790482
_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  0.84064700  0.82699800  0.65553800  1
  Fe  Fe1  1  0.82567400  0.16882300  0.62744300  1
  Fe  Fe2  1  0.82637600  0.49784200  0.12802900  1
  Fe  Fe3  1  0.67014700  0.00877000  0.88237100  1
  Fe  Fe4  1  0.66847000  0.33894200  0.37544600  1
  Fe  Fe5  1  0.33871900  0.65546400  0.62706700  1
  Fe  Fe6  1  0.32897100  0.99678600  0.12523000  1
  Fe  Fe7  1  0.17346200  0.83522100  0.37522700  1
  Fe  Fe8  1  0.17323700  0.50630000  0.88022100  1
  B  B9  1  0.84775300  0.50137700  0.62423500  1
  B  B10  1  0.82903900  0.16850800  0.13264600  1
  B  B11  1  0.66356700  0.00355200  0.38335300  1
  B  B12  1  0.67268200  0.33609500  0.87531400  1
  B  B13  1  0.33333100  0.99341500  0.62491000  1
  B  B14  1  0.32518200  0.67080900  0.12850400  1
  B  B15  1  0.16040700  0.50220800  0.37659600  1
  B  B16  1  0.17699200  0.82949600  0.87002100  1
  O  O17  1  0.91018200  0.49832000  0.32729000  1
  O  O18  1  0.93051000  0.85112300  0.83736000  1
  O  O19  1  0.78187900  0.21400800  0.81608600  1
  O  O20  1  0.73779500  0.13946600  0.43141400  1
  O  O21  1  0.82762500  0.88751000  0.39013500  1
  O  O22  1  0.83519000  0.43731700  0.93431800  1
  O  O23  1  0.70064000  0.62654800  0.62572500  1
  O  O24  1  0.66846500  0.06514900  0.08192400  1
  O  O25  1  0.75704600  0.37293400  0.57129500  1
  O  O26  1  0.71713900  0.29959500  0.17974800  1
  O  O27  1  0.58022800  0.64656900  0.13206600  1
  O  O28  1  0.59213400  0.99681900  0.65809400  1
  O  O29  1  0.41631200  0.99014700  0.33264900  1
  O  O30  1  0.41649400  0.35872100  0.87817800  1
  O  O31  1  0.30361700  0.69975000  0.82366400  1
  O  O32  1  0.24054400  0.63346300  0.43344900  1
  O  O33  1  0.31986600  0.38573400  0.37232100  1
  O  O34  1  0.32523700  0.92783900  0.93875400  1
  O  O35  1  0.16208700  0.56894100  0.07207200  1
  O  O36  1  0.17124800  0.10896600  0.63144300  1
  O  O37  1  0.23735000  0.85729100  0.58099000  1
  O  O38  1  0.21093100  0.79689300  0.18161200  1
  O  O39  1  0.08616400  0.14641400  0.13743600  1
  O  O40  1  0.09558100  0.50249200  0.67667200  1
