# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20982000
_cell_length_b   9.08865225
_cell_length_c   10.21663069
_cell_angle_alpha   88.87542442
_cell_angle_beta   89.06481516
_cell_angle_gamma   89.64216431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.59383964
_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  0.14702100  0.17293600  0.66248100  1
  Li  Li1  1  0.18526500  0.16544500  0.16604900  1
  Li  Li2  1  0.32700100  0.33320500  0.40823500  1
  Li  Li3  1  0.33412900  0.32357600  0.91630300  1
  Fe  Fe4  1  0.16266200  0.82979100  0.63178400  1
  Fe  Fe5  1  0.18366900  0.50863700  0.13167100  1
  Fe  Fe6  1  0.31642500  0.98801600  0.87971400  1
  Fe  Fe7  1  0.33555000  0.67118100  0.37447700  1
  Fe  Fe8  1  0.66007900  0.34950500  0.62826900  1
  Fe  Fe9  1  0.67026800  0.99584000  0.12656100  1
  Fe  Fe10  1  0.83007000  0.15007900  0.38628600  1
  Fe  Fe11  1  0.83455200  0.50425400  0.88020100  1
  B  B12  1  0.15472200  0.49920300  0.62259800  1
  B  B13  1  0.16184900  0.83924600  0.13465100  1
  B  B14  1  0.34304900  0.99806500  0.37651100  1
  B  B15  1  0.33871500  0.65905600  0.87164100  1
  B  B16  1  0.66845700  0.00259000  0.63301200  1
  B  B17  1  0.67855100  0.32345100  0.11998400  1
  B  B18  1  0.82787900  0.49600200  0.37495400  1
  B  B19  1  0.82148900  0.17469100  0.88119600  1
  O  O20  1  0.09610900  0.49698100  0.34536000  1
  O  O21  1  0.08574500  0.17105300  0.86380000  1
  O  O22  1  0.20756300  0.78223200  0.82426900  1
  O  O23  1  0.23526500  0.87108200  0.43186100  1
  O  O24  1  0.21039600  0.13036400  0.37010900  1
  O  O25  1  0.19927300  0.53538800  0.91709800  1
  O  O26  1  0.28079200  0.36611000  0.60563100  1
  O  O27  1  0.30221800  0.96470400  0.09275000  1
  O  O28  1  0.26120600  0.62995800  0.57398100  1
  O  O29  1  0.29196200  0.71615100  0.18220600  1
  O  O30  1  0.41219200  0.32480500  0.11736900  1
  O  O31  1  0.40097500  0.00233700  0.66204200  1
  O  O32  1  0.58783500  0.99183300  0.32294200  1
  O  O33  1  0.59626400  0.65642200  0.87791800  1
  O  O34  1  0.68412300  0.30398900  0.84573800  1
  O  O35  1  0.71337000  0.36386500  0.41526100  1
  O  O36  1  0.68446600  0.62044300  0.36684100  1
  O  O37  1  0.68206600  0.05745200  0.93183000  1
  O  O38  1  0.82108500  0.44226300  0.07535600  1
  O  O39  1  0.81198100  0.87786100  0.63768800  1
  O  O40  1  0.78562800  0.13601300  0.59722500  1
  O  O41  1  0.81075800  0.19643500  0.16363500  1
  O  O42  1  0.90498400  0.84191600  0.12563800  1
  O  O43  1  0.91876900  0.50200100  0.68535800  1
