# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28960400
_cell_length_b   9.05618875
_cell_length_c   11.40902517
_cell_angle_alpha   113.06593122
_cell_angle_beta   102.71970761
_cell_angle_gamma   89.80629509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   488.40459600
_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  0.16073500  0.82941300  0.64412800  1
  Li  Li1  1  0.35445900  0.68421400  0.38554300  1
  Li  Li2  1  0.60796000  0.95170400  0.90526400  1
  Li  Li3  1  0.42812400  0.06620100  0.16454800  1
  Fe  Fe4  1  0.40490100  0.71815800  0.13128500  1
  Fe  Fe5  1  0.09507900  0.76536700  0.87987600  1
  Fe  Fe6  1  0.85161600  0.86459900  0.38288900  1
  Fe  Fe7  1  0.66215900  0.64152600  0.62528100  1
  Fe  Fe8  1  0.34996200  0.34714000  0.38408600  1
  Fe  Fe9  1  0.13980600  0.16885400  0.63258400  1
  Fe  Fe10  1  0.91088300  0.24278600  0.13129800  1
  Fe  Fe11  1  0.59680200  0.27156600  0.86809000  1
  B  B12  1  0.64199000  0.97772300  0.62905200  1
  B  B13  1  0.89867900  0.90904900  0.12962900  1
  B  B14  1  0.14929500  0.49102500  0.63207400  1
  B  B15  1  0.40195000  0.38301900  0.12585800  1
  B  B16  1  0.84861300  0.52943700  0.37271100  1
  B  B17  1  0.60100300  0.61152100  0.88182200  1
  B  B18  1  0.35031000  0.00909100  0.37703900  1
  B  B19  1  0.10691500  0.10373600  0.87789500  1
  O  O20  1  0.12703300  0.87447400  0.08497500  1
  O  O21  1  0.47173000  0.86391800  0.35141200  1
  O  O22  1  0.21778600  0.96032000  0.86655300  1
  O  O23  1  0.50560500  0.84199100  0.61872500  1
  O  O24  1  0.87781500  0.96351300  0.58907300  1
  O  O25  1  0.79759300  0.82029500  0.18661400  1
  O  O26  1  0.31291000  0.52957400  0.15945500  1
  O  O27  1  0.06430500  0.65077400  0.68595500  1
  O  O28  1  0.71905600  0.72627900  0.84977700  1
  O  O29  1  0.62021000  0.53609000  0.41286100  1
  O  O30  1  0.98641400  0.67014700  0.39053600  1
  O  O31  1  0.37994500  0.65622700  0.93000900  1
  O  O32  1  0.61772100  0.34280100  0.06890200  1
  O  O33  1  0.36133500  0.47892800  0.57848300  1
  O  O34  1  0.28671200  0.26047200  0.14991900  1
  O  O35  1  0.95298500  0.38288300  0.31721800  1
  O  O36  1  0.69830700  0.47107400  0.87093600  1
  O  O37  1  0.22417300  0.21337500  0.84626500  1
  O  O38  1  0.13488400  0.02238400  0.43052700  1
  O  O39  1  0.43904300  0.12478800  0.34602700  1
  O  O40  1  0.01333600  0.36839200  0.63462900  1
  O  O41  1  0.76251600  0.03408800  0.11123800  1
  O  O42  1  0.54856200  0.12810800  0.67972100  1
  O  O43  1  0.87088100  0.13221300  0.91772400  1
