# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23980100
_cell_length_b   9.12593746
_cell_length_c   10.16698265
_cell_angle_alpha   90.60134353
_cell_angle_beta   90.23835312
_cell_angle_gamma   90.09079746
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.13412704
_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  0.84697000  0.82587600  0.65643800  1
  Li  Li1  1  0.66686500  0.67204500  0.38224200  1
  Li  Li2  1  0.34305800  0.32160700  0.66748000  1
  Li  Li3  1  0.31411200  0.32819200  0.16315100  1
  Fe  Fe4  1  0.85143200  0.15681300  0.62618500  1
  Fe  Fe5  1  0.82214500  0.50920000  0.12621500  1
  Fe  Fe6  1  0.66741300  0.00769100  0.87898000  1
  Fe  Fe7  1  0.68014700  0.33206700  0.37981500  1
  Fe  Fe8  1  0.34499600  0.66075200  0.62932100  1
  Fe  Fe9  1  0.32450200  0.98840800  0.12932800  1
  Fe  Fe10  1  0.15127300  0.84887700  0.38143300  1
  Fe  Fe11  1  0.16897100  0.50871600  0.88210000  1
  B  B12  1  0.83762800  0.49688300  0.62362600  1
  B  B13  1  0.82970400  0.16667500  0.12956300  1
  B  B14  1  0.65509600  0.00062900  0.37647800  1
  B  B15  1  0.67337000  0.33722500  0.87326900  1
  B  B16  1  0.33699000  0.99678500  0.63425100  1
  B  B17  1  0.33520600  0.66776500  0.13321600  1
  B  B18  1  0.18090500  0.50644100  0.37634900  1
  B  B19  1  0.16841800  0.83564200  0.87776500  1
  O  O20  1  0.91657000  0.49805400  0.35151700  1
  O  O21  1  0.91894000  0.86122100  0.85363300  1
  O  O22  1  0.77779500  0.20379000  0.83546400  1
  O  O23  1  0.76209900  0.13210500  0.42114800  1
  O  O24  1  0.77981700  0.87174800  0.39691100  1
  O  O25  1  0.82694600  0.44757600  0.92411700  1
  O  O26  1  0.72182700  0.63131600  0.61325000  1
  O  O27  1  0.67485200  0.05575900  0.07605300  1
  O  O28  1  0.70498900  0.36934200  0.58281200  1
  O  O29  1  0.70538000  0.29228800  0.17821300  1
  O  O30  1  0.58575100  0.66582800  0.15979600  1
  O  O31  1  0.59152400  0.98424800  0.67946900  1
  O  O32  1  0.41490500  0.00221200  0.31769100  1
  O  O33  1  0.41722800  0.35997600  0.85638300  1
  O  O34  1  0.27855700  0.70334100  0.84005500  1
  O  O35  1  0.28704800  0.63711700  0.41963200  1
  O  O36  1  0.32921600  0.38481600  0.35261400  1
  O  O37  1  0.32590200  0.94433800  0.93233700  1
  O  O38  1  0.20862100  0.53942300  0.08304900  1
  O  O39  1  0.22405500  0.13093800  0.63040500  1
  O  O40  1  0.20888900  0.87068100  0.59405700  1
  O  O41  1  0.18758000  0.79297300  0.15846400  1
  O  O42  1  0.08883500  0.15442700  0.13156000  1
  O  O43  1  0.08699000  0.48415200  0.67303700  1
