# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33475900
_cell_length_b   9.02247428
_cell_length_c   10.10864959
_cell_angle_alpha   89.33358968
_cell_angle_beta   89.42262554
_cell_angle_gamma   89.63779959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   486.48988054
_cell_formula_units_Z   2
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  0.35333800  0.99352000  0.10194100  1
  Li  Li1  1  0.14919700  0.48982600  0.84073700  1
  Fe  Fe2  1  0.84467500  0.83150300  0.12347700  1
  Fe  Fe3  1  0.15778200  0.83446800  0.37143700  1
  Fe  Fe4  1  0.65998700  0.67038400  0.87574200  1
  Fe  Fe5  1  0.35264500  0.66982200  0.61910500  1
  Fe  Fe6  1  0.66086200  0.33157000  0.36757000  1
  Fe  Fe7  1  0.83896900  0.16889100  0.62595500  1
  Fe  Fe8  1  0.33643500  0.33782400  0.12026400  1
  Fe  Fe9  1  0.15927900  0.15131300  0.86968100  1
  B  B10  1  0.83820700  0.83267700  0.62338400  1
  B  B11  1  0.67036300  0.66800000  0.37397400  1
  B  B12  1  0.17371600  0.82230800  0.87777400  1
  B  B13  1  0.33674900  0.66757500  0.12236900  1
  B  B14  1  0.66035100  0.33795200  0.87109200  1
  B  B15  1  0.33645900  0.32874100  0.62304100  1
  B  B16  1  0.82921100  0.16690900  0.12279300  1
  B  B17  1  0.16641400  0.17251100  0.36701100  1
  O  O18  1  0.74246600  0.97050700  0.62563000  1
  O  O19  1  0.92751200  0.80226000  0.91564600  1
  O  O20  1  0.29419100  0.95053100  0.89921100  1
  O  O21  1  0.81042100  0.78937700  0.33296600  1
  O  O22  1  0.69954200  0.71128600  0.67212200  1
  O  O23  1  0.22254300  0.79641000  0.17434000  1
  O  O24  1  0.07885700  0.80427500  0.57207200  1
  O  O25  1  0.57146400  0.68706500  0.06544600  1
  O  O26  1  0.75689100  0.52867500  0.36483700  1
  O  O27  1  0.42837100  0.69607100  0.42653900  1
  O  O28  1  0.29757800  0.69561400  0.82419800  1
  O  O29  1  0.78431300  0.47165400  0.87073300  1
  O  O30  1  0.22058000  0.53507000  0.12265000  1
  O  O31  1  0.69711700  0.29522300  0.16444600  1
  O  O32  1  0.57087000  0.30370700  0.56472100  1
  O  O33  1  0.25636700  0.47006300  0.64857000  1
  O  O34  1  0.41098200  0.32873100  0.91863600  1
  O  O35  1  0.93068400  0.19862000  0.42362600  1
  O  O36  1  0.78395500  0.21411800  0.82242100  1
  O  O37  1  0.30498600  0.29550000  0.32245600  1
  O  O38  1  0.19230500  0.20863000  0.66220000  1
  O  O39  1  0.70991300  0.03743600  0.11635000  1
  O  O40  1  0.08607700  0.18151800  0.08708600  1
  O  O41  1  0.25749600  0.03308400  0.35182600  1
