# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00577200
_cell_length_b   5.26669300
_cell_length_c   10.27240733
_cell_angle_alpha   88.18258972
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   486.98172678
_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  0.98846100  0.65671700  0.83695300  1
  Li  Li1  1  0.99465100  0.33667500  0.08322700  1
  Li  Li2  1  0.50449800  0.85066100  0.57933700  1
  Li  Li3  1  0.49550200  0.85066100  0.07933700  1
  Li  Li4  1  0.01153900  0.65671700  0.33695300  1
  Li  Li5  1  0.00534900  0.33667500  0.58322700  1
  Fe  Fe6  1  0.83675000  0.83771600  0.11338900  1
  Fe  Fe7  1  0.82099000  0.15222800  0.36154700  1
  Fe  Fe8  1  0.65180700  0.66460500  0.86815800  1
  Fe  Fe9  1  0.66807700  0.33647000  0.62744100  1
  Fe  Fe10  1  0.34819300  0.66460500  0.36815800  1
  Fe  Fe11  1  0.16325000  0.83771600  0.61338900  1
  Fe  Fe12  1  0.33192300  0.33647000  0.12744100  1
  Fe  Fe13  1  0.17901000  0.15222800  0.86154700  1
  B  B14  1  0.82852000  0.83076800  0.62765100  1
  B  B15  1  0.67812400  0.66763100  0.38165100  1
  B  B16  1  0.83990300  0.16819000  0.86888600  1
  B  B17  1  0.66201300  0.34319900  0.11834300  1
  B  B18  1  0.32187600  0.66763100  0.88165100  1
  B  B19  1  0.33798700  0.34319900  0.61834300  1
  B  B20  1  0.17148000  0.83076800  0.12765100  1
  B  B21  1  0.16009700  0.16819000  0.36888600  1
  O  O22  1  0.95792600  0.69052100  0.63541600  1
  O  O23  1  0.83448900  0.90788300  0.90024100  1
  O  O24  1  0.96841200  0.30457400  0.88948400  1
  O  O25  1  0.80770100  0.77826200  0.32929600  1
  O  O26  1  0.69168800  0.71228200  0.65342900  1
  O  O27  1  0.79677200  0.22388400  0.15033400  1
  O  O28  1  0.83093200  0.08822600  0.59435500  1
  O  O29  1  0.66068700  0.59915100  0.08118600  1
  O  O30  1  0.54935900  0.80136800  0.38577600  1
  O  O31  1  0.68915300  0.42102200  0.43507800  1
  O  O32  1  0.71490500  0.29635400  0.81892300  1
  O  O33  1  0.45064100  0.80136800  0.88577600  1
  O  O34  1  0.53086000  0.20692600  0.12357400  1
  O  O35  1  0.30831200  0.71228200  0.15342900  1
  O  O36  1  0.33931300  0.59915100  0.58118600  1
  O  O37  1  0.46914000  0.20692600  0.62357400  1
  O  O38  1  0.31084700  0.42102200  0.93507800  1
  O  O39  1  0.16551100  0.90788300  0.40024100  1
  O  O40  1  0.19229900  0.77826200  0.82929600  1
  O  O41  1  0.28509500  0.29635400  0.31892300  1
  O  O42  1  0.20322800  0.22388400  0.65033400  1
  O  O43  1  0.04207400  0.69052100  0.13541600  1
  O  O44  1  0.16906800  0.08822600  0.09435500  1
  O  O45  1  0.03158800  0.30457400  0.38948400  1
