# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30137100
_cell_length_b   9.03847116
_cell_length_c   10.10322204
_cell_angle_alpha   89.79208585
_cell_angle_beta   88.18513943
_cell_angle_gamma   89.87600709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.86186492
_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  0.33938600  0.98751400  0.15817200  1
  Li  Li1  1  0.66096600  0.00038000  0.90459000  1
  Li  Li2  1  0.15742400  0.49869400  0.90472900  1
  Li  Li3  1  0.64508600  0.00521300  0.41738700  1
  Fe  Fe4  1  0.16491000  0.84217900  0.87899400  1
  Fe  Fe5  1  0.84310000  0.82839700  0.63232200  1
  Fe  Fe6  1  0.33159800  0.64934000  0.13416200  1
  Fe  Fe7  1  0.66666300  0.66085200  0.37300200  1
  Fe  Fe8  1  0.33464000  0.33312900  0.63030700  1
  Fe  Fe9  1  0.14907700  0.16680400  0.38479200  1
  Fe  Fe10  1  0.66633000  0.34585300  0.87499500  1
  Fe  Fe11  1  0.84111600  0.17379700  0.12849300  1
  B  B12  1  0.17439500  0.82804200  0.37763600  1
  B  B13  1  0.33778800  0.66966100  0.62611900  1
  B  B14  1  0.83812900  0.83984400  0.13366100  1
  B  B15  1  0.66300300  0.67038900  0.87769400  1
  B  B16  1  0.32646800  0.32166300  0.11986600  1
  B  B17  1  0.65546300  0.33144700  0.37620800  1
  B  B18  1  0.17002000  0.16936400  0.87994000  1
  B  B19  1  0.82819100  0.16605500  0.62849500  1
  O  O20  1  0.29468200  0.96250100  0.36322100  1
  O  O21  1  0.09281600  0.83428200  0.09897100  1
  O  O22  1  0.70456900  0.97341200  0.11829400  1
  O  O23  1  0.19325600  0.79346100  0.66188000  1
  O  O24  1  0.30080300  0.69718900  0.34962500  1
  O  O25  1  0.77430300  0.80789300  0.83380600  1
  O  O26  1  0.91488700  0.82380900  0.41739800  1
  O  O27  1  0.40926100  0.67118200  0.91738000  1
  O  O28  1  0.24473100  0.53274100  0.64535800  1
  O  O29  1  0.58626800  0.69190900  0.57526000  1
  O  O30  1  0.70237700  0.71860600  0.17965200  1
  O  O31  1  0.19922200  0.44907600  0.10426600  1
  O  O32  1  0.80754000  0.54714300  0.87909900  1
  O  O33  1  0.27288300  0.30366800  0.83624500  1
  O  O34  1  0.41869100  0.31457700  0.43479200  1
  O  O35  1  0.77367400  0.46368200  0.36513300  1
  O  O36  1  0.58120900  0.30964500  0.08321700  1
  O  O37  1  0.07835300  0.18727900  0.59145400  1
  O  O38  1  0.20306100  0.19123000  0.16535300  1
  O  O39  1  0.68212600  0.28250800  0.67360600  1
  O  O40  1  0.77688300  0.19922100  0.33000600  1
  O  O41  1  0.31250200  0.04354300  0.88681800  1
  O  O42  1  0.91328200  0.16771400  0.92211600  1
  O  O43  1  0.72526500  0.02632800  0.61358200  1
