# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30114100
_cell_length_b   9.07402357
_cell_length_c   10.11159450
_cell_angle_alpha   89.49802028
_cell_angle_beta   89.33458052
_cell_angle_gamma   89.57847488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.33050716
_cell_formula_units_Z   1
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  0.65573900  0.98724000  0.84113900  1
  Li  Li1  1  0.34225600  0.00022100  0.12271200  1
  Li  Li2  1  0.15505400  0.49331200  0.84088500  1
  Fe  Fe3  1  0.83859000  0.82845000  0.12421700  1
  Fe  Fe4  1  0.15617300  0.83827000  0.37402000  1
  Fe  Fe5  1  0.66527900  0.65491200  0.87274700  1
  Fe  Fe6  1  0.34910700  0.67075900  0.61894300  1
  Fe  Fe7  1  0.66376900  0.33465100  0.36907600  1
  Fe  Fe8  1  0.84725300  0.16876400  0.61894200  1
  Fe  Fe9  1  0.33586100  0.34052600  0.12151700  1
  Fe  Fe10  1  0.15594200  0.15665100  0.87153300  1
  B  B11  1  0.84100500  0.83155000  0.62868400  1
  B  B12  1  0.66486500  0.66375200  0.36984900  1
  B  B13  1  0.16728100  0.83078900  0.87725200  1
  B  B14  1  0.33725200  0.67134400  0.11764500  1
  B  B15  1  0.66272100  0.32868100  0.87259700  1
  B  B16  1  0.33935300  0.33050600  0.62511700  1
  B  B17  1  0.83173400  0.16423700  0.12213600  1
  B  B18  1  0.17413700  0.17327400  0.36211400  1
  O  O19  1  0.74729900  0.97132200  0.64717800  1
  O  O20  1  0.91233700  0.83111700  0.91605400  1
  O  O21  1  0.30812900  0.95665800  0.89118800  1
  O  O22  1  0.79110300  0.78594400  0.31634900  1
  O  O23  1  0.69521200  0.71165100  0.66667700  1
  O  O24  1  0.20207200  0.79905600  0.15226200  1
  O  O25  1  0.08180600  0.81071000  0.57889500  1
  O  O26  1  0.58566300  0.68908700  0.07620500  1
  O  O27  1  0.77290500  0.52748300  0.36535100  1
  O  O28  1  0.42816500  0.68532000  0.42740500  1
  O  O29  1  0.27544500  0.70111400  0.82790600  1
  O  O30  1  0.80343300  0.45251700  0.87054800  1
  O  O31  1  0.22775700  0.53696000  0.11785600  1
  O  O32  1  0.69568900  0.28779500  0.16379400  1
  O  O33  1  0.57340500  0.30254400  0.56509100  1
  O  O34  1  0.26048600  0.47013600  0.65113200  1
  O  O35  1  0.41045700  0.32794600  0.92030500  1
  O  O36  1  0.93473700  0.19489400  0.42229000  1
  O  O37  1  0.76596400  0.19515500  0.82564100  1
  O  O38  1  0.30328100  0.30243000  0.32164300  1
  O  O39  1  0.19270600  0.21137900  0.66602100  1
  O  O40  1  0.71508000  0.03028000  0.11224300  1
  O  O41  1  0.08722400  0.17930000  0.08654600  1
  O  O42  1  0.27167800  0.03938000  0.33889100  1
