# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21643600
_cell_length_b   9.14071664
_cell_length_c   10.17925090
_cell_angle_alpha   88.84217079
_cell_angle_beta   88.88604154
_cell_angle_gamma   89.54309401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.16190121
_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  0.15224500  0.17318400  0.65111000  1
  Li  Li1  1  0.33219500  0.32992700  0.40034000  1
  Li  Li2  1  0.33201100  0.31571700  0.92514000  1
  Li  Li3  1  0.66085700  0.67516900  0.65490500  1
  Fe  Fe4  1  0.16077800  0.83734000  0.62953000  1
  Fe  Fe5  1  0.17608300  0.50311000  0.13783100  1
  Fe  Fe6  1  0.31409400  0.98941000  0.88170400  1
  Fe  Fe7  1  0.33484300  0.67192100  0.37125500  1
  Fe  Fe8  1  0.66286100  0.34203100  0.62811800  1
  Fe  Fe9  1  0.67029800  0.00324500  0.12593100  1
  Fe  Fe10  1  0.84362600  0.15090200  0.37268800  1
  Fe  Fe11  1  0.82909200  0.49981300  0.88883200  1
  B  B12  1  0.16124300  0.50505300  0.62386500  1
  B  B13  1  0.16579100  0.83658000  0.13190900  1
  B  B14  1  0.34412600  0.00119200  0.38431100  1
  B  B15  1  0.32535100  0.65689200  0.86446200  1
  B  B16  1  0.66501400  0.00011800  0.63185700  1
  B  B17  1  0.66873000  0.32791200  0.12342100  1
  B  B18  1  0.82725800  0.49494800  0.38237800  1
  B  B19  1  0.82740900  0.17547800  0.87816300  1
  O  O20  1  0.09568000  0.49893100  0.35580600  1
  O  O21  1  0.08888000  0.17120400  0.85736700  1
  O  O22  1  0.19905300  0.78280300  0.82220100  1
  O  O23  1  0.23618100  0.86841700  0.43260400  1
  O  O24  1  0.21586400  0.13030200  0.40261300  1
  O  O25  1  0.19149200  0.53616000  0.91562700  1
  O  O26  1  0.28523200  0.37251900  0.61350900  1
  O  O27  1  0.32364400  0.94620900  0.08120200  1
  O  O28  1  0.28952900  0.63537800  0.58602800  1
  O  O29  1  0.28186500  0.70961100  0.18381600  1
  O  O30  1  0.40766800  0.33469700  0.11812600  1
  O  O31  1  0.39944900  0.00093800  0.66284500  1
  O  O32  1  0.58369600  0.99453600  0.32453900  1
  O  O33  1  0.58595900  0.64741600  0.84989500  1
  O  O34  1  0.69136800  0.30708700  0.84475700  1
  O  O35  1  0.71477400  0.36135100  0.41557500  1
  O  O36  1  0.68467200  0.62023800  0.38114700  1
  O  O37  1  0.68360900  0.06045500  0.92673000  1
  O  O38  1  0.81467000  0.44899600  0.07989400  1
  O  O39  1  0.79686200  0.86895000  0.63285800  1
  O  O40  1  0.78756400  0.12950300  0.59996000  1
  O  O41  1  0.79647500  0.20131000  0.16410100  1
  O  O42  1  0.90821600  0.84875800  0.12779100  1
  O  O43  1  0.91066000  0.51387200  0.67175100  1
