# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23758600
_cell_length_b   9.13939355
_cell_length_c   11.34319612
_cell_angle_alpha   113.52688743
_cell_angle_beta   103.30452970
_cell_angle_gamma   88.98199493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   482.80864147
_cell_formula_units_Z   2
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  0.28652100  0.27380300  0.90394200  1
  Li  Li1  1  0.76484200  0.75094500  0.15839500  1
  Fe  Fe2  1  0.01670200  0.34971800  0.37089600  1
  Fe  Fe3  1  0.26722600  0.93161800  0.88128200  1
  Fe  Fe4  1  0.48003800  0.15196800  0.62375200  1
  Fe  Fe5  1  0.25105700  0.55769600  0.13714600  1
  Fe  Fe6  1  0.77012500  0.44556000  0.87950000  1
  Fe  Fe7  1  0.51075300  0.85079700  0.37914900  1
  Fe  Fe8  1  0.97586600  0.64741800  0.62815900  1
  Fe  Fe9  1  0.74765800  0.06901700  0.12594600  1
  B  B10  1  0.02308200  0.68512300  0.37968500  1
  B  B11  1  0.26699100  0.60037600  0.87341100  1
  B  B12  1  0.47196000  0.81616800  0.63175200  1
  B  B13  1  0.23368500  0.88803500  0.12545600  1
  B  B14  1  0.52966900  0.18965000  0.37793400  1
  B  B15  1  0.76855800  0.10941600  0.87627000  1
  B  B16  1  0.97572000  0.31635600  0.63003200  1
  B  B17  1  0.73099100  0.39725000  0.12190100  1
  O  O18  1  0.02930200  0.09668900  0.87615700  1
  O  O19  1  0.11988600  0.70652200  0.83057000  1
  O  O20  1  0.14306400  0.49678100  0.91069100  1
  O  O21  1  0.14185400  0.20489700  0.64423900  1
  O  O22  1  0.03384000  0.42050900  0.57651200  1
  O  O23  1  0.24149100  0.83097100  0.67753900  1
  O  O24  1  0.26111200  0.67609600  0.34433900  1
  O  O25  1  0.52950400  0.59766600  0.88173800  1
  O  O26  1  0.62564100  0.22370100  0.83773100  1
  O  O27  1  0.46973900  0.07979300  0.42975100  1
  O  O28  1  0.36481300  0.30323800  0.37319200  1
  O  O29  1  0.63100300  0.01802200  0.91622900  1
  O  O30  1  0.35223200  0.97131800  0.06997400  1
  O  O31  1  0.63329700  0.70047200  0.63475700  1
  O  O32  1  0.53167100  0.92605200  0.58120200  1
  O  O33  1  0.39802400  0.79252100  0.17834800  1
  O  O34  1  0.46526400  0.37798700  0.09716700  1
  O  O35  1  0.74346300  0.33154300  0.67470400  1
  O  O36  1  0.76068200  0.17516800  0.33580300  1
  O  O37  1  0.96156100  0.58128400  0.43315100  1
  O  O38  1  0.84915600  0.78873000  0.35566300  1
  O  O39  1  0.84704200  0.50455000  0.08246800  1
  O  O40  1  0.89221000  0.30853800  0.17842600  1
  O  O41  1  0.97777900  0.89355100  0.12896600  1
