# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24167200
_cell_length_b   9.10279172
_cell_length_c   11.39611379
_cell_angle_alpha   112.52799829
_cell_angle_beta   102.70356456
_cell_angle_gamma   90.17554224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   487.65924689
_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  0.02901900  0.04024800  0.40628200  1
  Li  Li1  1  0.30147000  0.28229600  0.91226300  1
  Li  Li2  1  0.48926300  0.50945600  0.66694600  1
  Li  Li3  1  0.27012400  0.24915200  0.16982700  1
  Li  Li4  1  0.98076000  0.00589200  0.66414000  1
  Li  Li5  1  0.76792500  0.74417700  0.16023200  1
  Fe  Fe6  1  0.00892500  0.35809400  0.37948100  1
  Fe  Fe7  1  0.26812200  0.92497100  0.87989600  1
  Fe  Fe8  1  0.47858600  0.16055600  0.63269900  1
  Fe  Fe9  1  0.25015900  0.56379300  0.13192700  1
  Fe  Fe10  1  0.77572300  0.45132400  0.88557400  1
  Fe  Fe11  1  0.51965200  0.85099700  0.38452500  1
  Fe  Fe12  1  0.96248300  0.65029400  0.62830300  1
  Fe  Fe13  1  0.74862200  0.05954900  0.12567800  1
  B  B14  1  0.02067000  0.69299800  0.37990000  1
  B  B15  1  0.27167000  0.59989100  0.87513400  1
  B  B16  1  0.47463700  0.81628500  0.63145100  1
  B  B17  1  0.23894400  0.89613800  0.13025500  1
  B  B18  1  0.51863900  0.17565700  0.37130300  1
  B  B19  1  0.76104400  0.10430700  0.87585200  1
  B  B20  1  0.97720900  0.31424000  0.62484800  1
  B  B21  1  0.73380400  0.39546500  0.12591300  1
  O  O22  1  0.02154500  0.08740500  0.86374800  1
  O  O23  1  0.12018100  0.71422800  0.84548300  1
  O  O24  1  0.16828100  0.49519400  0.92005600  1
  O  O25  1  0.08472400  0.17037200  0.61305400  1
  O  O26  1  0.10373100  0.42702900  0.59683300  1
  O  O27  1  0.24439100  0.85470200  0.67787000  1
  O  O28  1  0.25807300  0.68059000  0.34132200  1
  O  O29  1  0.51949000  0.59295400  0.85774000  1
  O  O30  1  0.62224900  0.21793800  0.84269600  1
  O  O31  1  0.42189300  0.06592100  0.41698300  1
  O  O32  1  0.36590100  0.28760900  0.35258300  1
  O  O33  1  0.63745700  0.00639500  0.91861500  1
  O  O34  1  0.33540600  0.99882400  0.07982200  1
  O  O35  1  0.59190700  0.68441400  0.63089300  1
  O  O36  1  0.58205100  0.92126100  0.58515400  1
  O  O37  1  0.41143900  0.79879400  0.17333800  1
  O  O38  1  0.46282200  0.37584800  0.10932000  1
  O  O39  1  0.74088700  0.34286700  0.66254800  1
  O  O40  1  0.76577800  0.15759000  0.34367800  1
  O  O41  1  0.93578600  0.58985800  0.42628700  1
  O  O42  1  0.87491200  0.81797000  0.36805700  1
  O  O43  1  0.84247600  0.51783400  0.10108700  1
  O  O44  1  0.89325700  0.29125700  0.16280300  1
  O  O45  1  0.98576400  0.89522100  0.14103200  1
