# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24192000
_cell_length_b   9.05851734
_cell_length_c   11.39505435
_cell_angle_alpha   113.06860018
_cell_angle_beta   102.57556376
_cell_angle_gamma   89.89454201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.76954323
_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  0.27206600  0.27213300  0.88252300  1
  Li  Li1  1  0.48696600  0.50906400  0.66309800  1
  Li  Li2  1  0.25470800  0.24311300  0.15411200  1
  Li  Li3  1  0.53045100  0.53630300  0.40454100  1
  Fe  Fe4  1  0.02313900  0.34087400  0.38353600  1
  Fe  Fe5  1  0.26059900  0.92733000  0.87624000  1
  Fe  Fe6  1  0.49027300  0.15183900  0.63185700  1
  Fe  Fe7  1  0.25101500  0.57085500  0.13020200  1
  Fe  Fe8  1  0.76831600  0.45348100  0.89067300  1
  Fe  Fe9  1  0.52004600  0.85619900  0.37357300  1
  Fe  Fe10  1  0.97147300  0.66073100  0.63063300  1
  Fe  Fe11  1  0.73394100  0.05907400  0.13037000  1
  B  B12  1  0.01412800  0.68409100  0.37581400  1
  B  B13  1  0.26728900  0.60264200  0.87324900  1
  B  B14  1  0.46650700  0.81211900  0.62299100  1
  B  B15  1  0.22920000  0.90287900  0.13076000  1
  B  B16  1  0.52799200  0.18649000  0.37674400  1
  B  B17  1  0.76687100  0.10524700  0.88139000  1
  B  B18  1  0.99435500  0.32192900  0.63627700  1
  B  B19  1  0.73833800  0.38548200  0.12557900  1
  O  O20  1  0.03096300  0.09898500  0.88683800  1
  O  O21  1  0.11355800  0.71916400  0.84756200  1
  O  O22  1  0.16733700  0.49956400  0.91995000  1
  O  O23  1  0.15165300  0.20935900  0.65854400  1
  O  O24  1  0.08918900  0.43068500  0.59340300  1
  O  O25  1  0.26075800  0.84543300  0.68581100  1
  O  O26  1  0.26666900  0.67279300  0.34771000  1
  O  O27  1  0.51002500  0.59169700  0.84901600  1
  O  O28  1  0.62008200  0.20480900  0.82982900  1
  O  O29  1  0.44464300  0.08727500  0.43206200  1
  O  O30  1  0.39378000  0.31325800  0.36714700  1
  O  O31  1  0.63571800  0.01621400  0.93001200  1
  O  O32  1  0.34948800  0.00344500  0.08505000  1
  O  O33  1  0.58376300  0.67111200  0.60283400  1
  O  O34  1  0.54925200  0.92246900  0.57783900  1
  O  O35  1  0.38348000  0.80829100  0.18179700  1
  O  O36  1  0.47184200  0.38204300  0.11976000  1
  O  O37  1  0.74057000  0.33176400  0.65826200  1
  O  O38  1  0.74709200  0.15002900  0.32522100  1
  O  O39  1  0.92262000  0.57205500  0.41687600  1
  O  O40  1  0.86487700  0.80513700  0.36902900  1
  O  O41  1  0.86238900  0.48710500  0.08891600  1
  O  O42  1  0.88710900  0.27420400  0.16408900  1
  O  O43  1  0.97114000  0.90690400  0.12676400  1
