# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23009600
_cell_length_b   9.14581790
_cell_length_c   11.25422594
_cell_angle_alpha   66.93033826
_cell_angle_beta   76.92479869
_cell_angle_gamma   89.03543816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   480.88635532
_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  0.97202500  0.97306900  0.39976900  1
  Li  Li1  1  0.71245100  0.72189900  0.91068400  1
  Li  Li2  1  0.51760100  0.49665700  0.65449500  1
  Li  Li3  1  0.47144500  0.46911900  0.40290900  1
  Fe  Fe4  1  0.97949000  0.64768100  0.37680100  1
  Fe  Fe5  1  0.73742700  0.07044300  0.88086100  1
  Fe  Fe6  1  0.50587800  0.85148700  0.62987900  1
  Fe  Fe7  1  0.76629600  0.42906900  0.13197300  1
  Fe  Fe8  1  0.22698700  0.55620900  0.88172900  1
  Fe  Fe9  1  0.47327800  0.15123100  0.37847300  1
  Fe  Fe10  1  0.03461000  0.34079200  0.62855000  1
  Fe  Fe11  1  0.26599900  0.93060900  0.13303800  1
  B  B12  1  0.97767400  0.31398000  0.37412300  1
  B  B13  1  0.73452000  0.39698800  0.87499700  1
  B  B14  1  0.53643700  0.18555100  0.62691900  1
  B  B15  1  0.76404200  0.10342400  0.13120400  1
  B  B16  1  0.47181400  0.80843500  0.38310000  1
  B  B17  1  0.23434200  0.89284600  0.87939100  1
  B  B18  1  0.01034700  0.68259100  0.62544900  1
  B  B19  1  0.26700100  0.60526500  0.12699200  1
  O  O20  1  0.97240100  0.90239400  0.88031600  1
  O  O21  1  0.88971700  0.28004100  0.84950600  1
  O  O22  1  0.83686500  0.49509300  0.92667500  1
  O  O23  1  0.86876400  0.81124900  0.62421600  1
  O  O24  1  0.91860100  0.56837000  0.58883900  1
  O  O25  1  0.74453400  0.15504900  0.68868200  1
  O  O26  1  0.73729600  0.35045000  0.33208100  1
  O  O27  1  0.49814300  0.41995400  0.84437100  1
  O  O28  1  0.38816900  0.79115500  0.83055400  1
  O  O29  1  0.57056400  0.91663500  0.42726600  1
  O  O30  1  0.59038200  0.67516400  0.38686600  1
  O  O31  1  0.36188200  0.97903000  0.93092000  1
  O  O32  1  0.63344500  0.01765900  0.07959900  1
  O  O33  1  0.42160500  0.32811700  0.60323100  1
  O  O34  1  0.44979200  0.07623500  0.58406000  1
  O  O35  1  0.62944500  0.21514300  0.17076500  1
  O  O36  1  0.53377700  0.59645700  0.11461600  1
  O  O37  1  0.25388600  0.66815500  0.66223500  1
  O  O38  1  0.23909000  0.84654700  0.33723400  1
  O  O39  1  0.08694000  0.42112800  0.41291800  1
  O  O40  1  0.09011900  0.17798000  0.37883400  1
  O  O41  1  0.13174000  0.51262900  0.08417900  1
  O  O42  1  0.13758800  0.71402500  0.17243600  1
  O  O43  1  0.01151300  0.07235900  0.14636200  1
