# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23908600
_cell_length_b   9.05579098
_cell_length_c   10.15837282
_cell_angle_alpha   89.77807785
_cell_angle_beta   89.75767714
_cell_angle_gamma   89.57172928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   481.93319752
_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  0.33638800  0.32365300  0.89824600  1
  Li  Li1  1  0.65609000  0.67885800  0.66421700  1
  Li  Li2  1  0.68960900  0.67017700  0.16651600  1
  Fe  Fe3  1  0.15059400  0.84734200  0.62810300  1
  Fe  Fe4  1  0.18224000  0.48715000  0.13571000  1
  Fe  Fe5  1  0.32272700  0.98554600  0.87716300  1
  Fe  Fe6  1  0.32049200  0.66371100  0.38390800  1
  Fe  Fe7  1  0.67161000  0.33336700  0.62924100  1
  Fe  Fe8  1  0.67408700  0.01045300  0.12574200  1
  Fe  Fe9  1  0.83691300  0.16365800  0.37626200  1
  Fe  Fe10  1  0.82707500  0.50378400  0.88600100  1
  B  B11  1  0.17363300  0.50297900  0.62864500  1
  B  B12  1  0.17362100  0.83001500  0.12941200  1
  B  B13  1  0.33888300  0.00064200  0.37241600  1
  B  B14  1  0.32334300  0.66221700  0.87306100  1
  B  B15  1  0.65081300  0.99736500  0.62786700  1
  B  B16  1  0.66853000  0.33376900  0.12506300  1
  B  B17  1  0.83021000  0.49616800  0.37980600  1
  B  B18  1  0.83125200  0.16569700  0.87833200  1
  O  O19  1  0.08679400  0.50404700  0.34714200  1
  O  O20  1  0.08904100  0.15318800  0.87904400  1
  O  O21  1  0.18360900  0.79121900  0.84297400  1
  O  O22  1  0.25778100  0.86731900  0.42317800  1
  O  O23  1  0.18400900  0.12017200  0.37216000  1
  O  O24  1  0.20029300  0.53680600  0.91927400  1
  O  O25  1  0.32212500  0.38205500  0.65113100  1
  O  O26  1  0.32781800  0.94072900  0.07659500  1
  O  O27  1  0.28806900  0.63338400  0.58247600  1
  O  O28  1  0.30050200  0.70464000  0.17875600  1
  O  O29  1  0.41693200  0.32007200  0.09755900  1
  O  O30  1  0.41189100  0.00414400  0.68805600  1
  O  O31  1  0.59067700  0.00893700  0.32237700  1
  O  O32  1  0.58135400  0.66325100  0.85205500  1
  O  O33  1  0.70798800  0.29242900  0.82841700  1
  O  O34  1  0.73490500  0.36334600  0.42994700  1
  O  O35  1  0.67182600  0.61365500  0.35924600  1
  O  O36  1  0.67423800  0.05624400  0.93130000  1
  O  O37  1  0.79925600  0.46469700  0.09898300  1
  O  O38  1  0.78117200  0.86999200  0.61892600  1
  O  O39  1  0.74821800  0.12980200  0.57397100  1
  O  O40  1  0.80638900  0.20932800  0.17370900  1
  O  O41  1  0.91322900  0.84466500  0.13359200  1
  O  O42  1  0.90951200  0.50381200  0.65482600  1
