# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25187100
_cell_length_b   9.10990897
_cell_length_c   11.31420305
_cell_angle_alpha   113.11543035
_cell_angle_beta   103.15344014
_cell_angle_gamma   89.27219097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.01840840
_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  0.02819600  0.03200900  0.40012300  1
  Li  Li1  1  0.53152900  0.53474000  0.41446600  1
  Li  Li2  1  0.98381100  0.00752600  0.66283800  1
  Li  Li3  1  0.74669300  0.73960100  0.14102300  1
  Fe  Fe4  1  0.03628500  0.34924900  0.37803600  1
  Fe  Fe5  1  0.27299300  0.92893800  0.87612000  1
  Fe  Fe6  1  0.46492100  0.16538800  0.62925000  1
  Fe  Fe7  1  0.23534900  0.56134400  0.13260400  1
  Fe  Fe8  1  0.76711500  0.43387500  0.87215200  1
  Fe  Fe9  1  0.53085600  0.85198400  0.38583800  1
  Fe  Fe10  1  0.97809000  0.64946400  0.63132100  1
  Fe  Fe11  1  0.73396300  0.07318300  0.13045200  1
  B  B12  1  0.01743600  0.68196600  0.37144800  1
  B  B13  1  0.27414000  0.60789100  0.88798700  1
  B  B14  1  0.48683100  0.82196800  0.62912900  1
  B  B15  1  0.23544500  0.89207900  0.12825400  1
  B  B16  1  0.51788400  0.18461700  0.37191300  1
  B  B17  1  0.76553900  0.10612700  0.87977400  1
  B  B18  1  0.96982400  0.31005000  0.62247500  1
  B  B19  1  0.73433500  0.40024300  0.13114000  1
  O  O20  1  0.00614800  0.06749800  0.85620100  1
  O  O21  1  0.14146000  0.71446400  0.84206200  1
  O  O22  1  0.13599800  0.51606600  0.93202800  1
  O  O23  1  0.07667800  0.16409600  0.60255100  1
  O  O24  1  0.05930900  0.41607600  0.58058000  1
  O  O25  1  0.25642900  0.85264800  0.67785400  1
  O  O26  1  0.26006400  0.65311600  0.33438000  1
  O  O27  1  0.53582300  0.59632800  0.89803200  1
  O  O28  1  0.63721300  0.22411400  0.84970300  1
  O  O29  1  0.41191300  0.07881000  0.41273200  1
  O  O30  1  0.40819300  0.32087100  0.37529800  1
  O  O31  1  0.63887100  0.01915700  0.93222600  1
  O  O32  1  0.36406200  0.98262300  0.08056500  1
  O  O33  1  0.59881500  0.68241400  0.60981000  1
  O  O34  1  0.58831900  0.93739900  0.59520800  1
  O  O35  1  0.37600900  0.77873200  0.16390900  1
  O  O36  1  0.48120000  0.41676700  0.13906600  1
  O  O37  1  0.75632000  0.34345200  0.68275000  1
  O  O38  1  0.75287900  0.14727300  0.32657200  1
  O  O39  1  0.91249600  0.57937400  0.41307600  1
  O  O40  1  0.89486900  0.81314700  0.36171800  1
  O  O41  1  0.85860200  0.50649100  0.09404400  1
  O  O42  1  0.87412100  0.28548200  0.16253200  1
  O  O43  1  0.98176800  0.91265700  0.13924600  1
