# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24353100
_cell_length_b   9.12033141
_cell_length_c   11.41571581
_cell_angle_alpha   113.06072985
_cell_angle_beta   103.10920927
_cell_angle_gamma   89.34529846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.38625419
_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  0.02932100  0.03416700  0.40657000  1
  Li  Li1  1  0.49010700  0.50672200  0.66057300  1
  Li  Li2  1  0.76689900  0.74770700  0.15926800  1
  Fe  Fe3  1  0.01242300  0.35982500  0.37088000  1
  Fe  Fe4  1  0.26914600  0.93869400  0.88699300  1
  Fe  Fe5  1  0.49324200  0.14760000  0.63348700  1
  Fe  Fe6  1  0.23114500  0.55914800  0.12412900  1
  Fe  Fe7  1  0.76037400  0.43484100  0.88077000  1
  Fe  Fe8  1  0.51721700  0.84085800  0.38362700  1
  Fe  Fe9  1  0.97662200  0.66088200  0.63099800  1
  Fe  Fe10  1  0.75007600  0.06638200  0.12579100  1
  B  B11  1  0.03258800  0.68771700  0.37427900  1
  B  B12  1  0.25507400  0.60471100  0.87220200  1
  B  B13  1  0.47208500  0.81378600  0.63213900  1
  B  B14  1  0.24165700  0.88503900  0.12858500  1
  B  B15  1  0.52017500  0.18925300  0.38540700  1
  B  B16  1  0.76714600  0.09811100  0.87204000  1
  B  B17  1  0.97948200  0.31641800  0.61936300  1
  B  B18  1  0.72859600  0.40658800  0.13344700  1
  O  O19  1  0.02500000  0.08412000  0.87387400  1
  O  O20  1  0.10651400  0.71325500  0.82817300  1
  O  O21  1  0.14144500  0.52985500  0.93483100  1
  O  O22  1  0.12697100  0.19004400  0.61131900  1
  O  O23  1  0.06966300  0.43727900  0.58604200  1
  O  O24  1  0.24334400  0.83333500  0.67686400  1
  O  O25  1  0.25164600  0.64848900  0.32163300  1
  O  O26  1  0.49516700  0.57644000  0.84728000  1
  O  O27  1  0.62911900  0.20094300  0.82071100  1
  O  O28  1  0.44004400  0.07390000  0.42695500  1
  O  O29  1  0.36246500  0.30646100  0.37956600  1
  O  O30  1  0.63501000  0.01392500  0.92180900  1
  O  O31  1  0.35670600  0.97418700  0.07630700  1
  O  O32  1  0.61529600  0.68567200  0.62952300  1
  O  O33  1  0.55053000  0.92246700  0.58747500  1
  O  O34  1  0.40038200  0.77622500  0.16570500  1
  O  O35  1  0.46923500  0.40720000  0.12687900  1
  O  O36  1  0.73887300  0.33024200  0.65437800  1
  O  O37  1  0.76625800  0.17955300  0.35360500  1
  O  O38  1  0.95444600  0.59005600  0.43273700  1
  O  O39  1  0.89704900  0.81248200  0.36519800  1
  O  O40  1  0.84936300  0.50898100  0.09265700  1
  O  O41  1  0.88020000  0.30622000  0.18220400  1
  O  O42  1  0.99145900  0.90103600  0.14512900  1
