# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23695700
_cell_length_b   9.14864524
_cell_length_c   10.12122778
_cell_angle_alpha   88.93845056
_cell_angle_beta   89.15019209
_cell_angle_gamma   89.23228777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.74044050
_cell_formula_units_Z   4
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  0.15179400  0.17122500  0.65292600  1
  Li  Li1  1  0.32940600  0.32808600  0.40340000  1
  Li  Li2  1  0.32752700  0.31839400  0.92168900  1
  Li  Li3  1  0.82798700  0.82945400  0.40398200  1
  Fe  Fe4  1  0.17131200  0.82901200  0.63095100  1
  Fe  Fe5  1  0.16510000  0.50548400  0.13630600  1
  Fe  Fe6  1  0.31772500  0.99021700  0.88069000  1
  Fe  Fe7  1  0.35070000  0.65945600  0.37540600  1
  Fe  Fe8  1  0.65544800  0.34945000  0.62763000  1
  Fe  Fe9  1  0.66715100  0.00376900  0.12666600  1
  Fe  Fe10  1  0.84357400  0.16074500  0.37784600  1
  Fe  Fe11  1  0.82935700  0.50476400  0.87678500  1
  B  B12  1  0.15414300  0.49900500  0.62524900  1
  B  B13  1  0.16681700  0.83385000  0.13233200  1
  B  B14  1  0.33876100  0.99806200  0.38362200  1
  B  B15  1  0.32991900  0.66055600  0.87419300  1
  B  B16  1  0.67220500  0.00388400  0.62685700  1
  B  B17  1  0.67063100  0.33200300  0.12396000  1
  B  B18  1  0.83435700  0.49737800  0.37527900  1
  B  B19  1  0.82438700  0.17524100  0.87991300  1
  O  O20  1  0.09484000  0.48110500  0.33327800  1
  O  O21  1  0.08590000  0.17099700  0.85889300  1
  O  O22  1  0.20017300  0.78272400  0.82527700  1
  O  O23  1  0.21405000  0.86911200  0.42441700  1
  O  O24  1  0.21763600  0.13094300  0.39088600  1
  O  O25  1  0.18905500  0.53853400  0.92242600  1
  O  O26  1  0.27915900  0.36713700  0.60630900  1
  O  O27  1  0.32275500  0.94539500  0.08563000  1
  O  O28  1  0.26109600  0.62915300  0.58161000  1
  O  O29  1  0.27870900  0.69914900  0.16708700  1
  O  O30  1  0.40974000  0.35116100  0.11703500  1
  O  O31  1  0.40897600  0.99712400  0.66116100  1
  O  O32  1  0.59273700  0.98729900  0.33797600  1
  O  O33  1  0.58787200  0.65421300  0.87774400  1
  O  O34  1  0.68349700  0.30544700  0.85019700  1
  O  O35  1  0.70342900  0.37147600  0.41335300  1
  O  O36  1  0.72433700  0.63192200  0.37879100  1
  O  O37  1  0.68759400  0.05734600  0.92914100  1
  O  O38  1  0.82931500  0.44615700  0.08050000  1
  O  O39  1  0.81623500  0.87747000  0.61391600  1
  O  O40  1  0.78400000  0.13776900  0.59946900  1
  O  O41  1  0.77693700  0.20176800  0.16753100  1
  O  O42  1  0.91030700  0.85368500  0.14540500  1
  O  O43  1  0.91337900  0.50046500  0.68437900  1
