# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27989000
_cell_length_b   9.07025584
_cell_length_c   11.40904860
_cell_angle_alpha   113.38134029
_cell_angle_beta   102.61024647
_cell_angle_gamma   89.81586875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   487.28743021
_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  0.64699100  0.30381800  0.59193700  1
  Li  Li1  1  0.38604600  0.04876800  0.09120500  1
  Li  Li2  1  0.31562100  0.67843000  0.33481900  1
  Li  Li3  1  0.57622400  0.91287600  0.84223300  1
  Fe  Fe4  1  0.59962700  0.59345500  0.86802900  1
  Fe  Fe5  1  0.90150200  0.89306100  0.12812300  1
  Fe  Fe6  1  0.14981400  0.47486500  0.62191600  1
  Fe  Fe7  1  0.34374300  0.03471500  0.37200400  1
  Fe  Fe8  1  0.65655000  0.97528500  0.62035900  1
  Fe  Fe9  1  0.84230900  0.51032100  0.36862700  1
  Fe  Fe10  1  0.09154500  0.10295700  0.86938200  1
  Fe  Fe11  1  0.40074300  0.40111800  0.11819200  1
  B  B12  1  0.36032000  0.36626900  0.37656600  1
  B  B13  1  0.11502700  0.77096300  0.87647000  1
  B  B14  1  0.84518700  0.84247200  0.36999200  1
  B  B15  1  0.59060800  0.26179000  0.86517000  1
  B  B16  1  0.14054700  0.14178300  0.61855900  1
  B  B17  1  0.39837300  0.73961800  0.12248100  1
  B  B18  1  0.65665400  0.64333200  0.62548200  1
  B  B19  1  0.90255900  0.22174000  0.12702100  1
  O  O20  1  0.86990600  0.77571800  0.91011400  1
  O  O21  1  0.55794500  0.53519200  0.66950900  1
  O  O22  1  0.76426800  0.08142700  0.11279600  1
  O  O23  1  0.49224800  0.24082600  0.38684200  1
  O  O24  1  0.12826200  0.39596200  0.41596100  1
  O  O25  1  0.22413900  0.62529700  0.83221600  1
  O  O26  1  0.70090800  0.38944200  0.85207700  1
  O  O27  1  0.94696800  0.94201700  0.31992300  1
  O  O28  1  0.28449800  0.88875500  0.15340500  1
  O  O29  1  0.38491300  0.11483100  0.58414000  1
  O  O30  1  0.01216500  0.26949900  0.61452700  1
  O  O31  1  0.61516700  0.72545300  0.06587000  1
  O  O32  1  0.38115400  0.27549800  0.92063500  1
  O  O33  1  0.61590300  0.87785700  0.41729400  1
  O  O34  1  0.69245600  0.10977500  0.82013600  1
  O  O35  1  0.03015000  0.03003500  0.65458500  1
  O  O36  1  0.30737000  0.62284700  0.14972500  1
  O  O37  1  0.79608300  0.36748200  0.17526700  1
  O  O38  1  0.85562800  0.59767500  0.56270300  1
  O  O39  1  0.55821400  0.79079400  0.64950100  1
  O  O40  1  0.96966800  0.70937600  0.36925100  1
  O  O41  1  0.24481900  0.91064000  0.89220800  1
  O  O42  1  0.45912600  0.47669300  0.33524800  1
  O  O43  1  0.13595300  0.21003000  0.08901300  1
