# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22220300
_cell_length_b   9.22219975
_cell_length_c   11.33091244
_cell_angle_alpha   112.87548419
_cell_angle_beta   102.75155371
_cell_angle_gamma   90.94778883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   487.18971992
_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  0.62188400  0.96346700  0.59662300  1
  Li  Li1  1  0.83605000  0.50150100  0.34770500  1
  Fe  Fe2  1  0.65218500  0.64323000  0.62523500  1
  Fe  Fe3  1  0.39179900  0.06601300  0.12063500  1
  Fe  Fe4  1  0.84935300  0.85195400  0.36919800  1
  Fe  Fe5  1  0.09990100  0.43176000  0.87159400  1
  Fe  Fe6  1  0.88963100  0.57119200  0.12263900  1
  Fe  Fe7  1  0.14152600  0.15296500  0.62029500  1
  Fe  Fe8  1  0.35235400  0.34387300  0.37619800  1
  Fe  Fe9  1  0.60625600  0.93076000  0.86867400  1
  B  B10  1  0.64405100  0.30294700  0.61935900  1
  B  B11  1  0.38369200  0.39722500  0.12853600  1
  B  B12  1  0.84675100  0.19229500  0.37391000  1
  B  B13  1  0.11050600  0.10435100  0.86763400  1
  B  B14  1  0.14750000  0.81970000  0.62339500  1
  B  B15  1  0.89247700  0.89439100  0.11903700  1
  B  B16  1  0.35312600  0.67849600  0.37415300  1
  B  B17  1  0.59974300  0.60641300  0.87522200  1
  O  O18  1  0.15218500  0.92022300  0.12647400  1
  O  O19  1  0.29330900  0.28617000  0.17034200  1
  O  O20  1  0.19610600  0.46843700  0.06728100  1
  O  O21  1  0.49753400  0.81377200  0.39802800  1
  O  O22  1  0.47848400  0.55928500  0.40713800  1
  O  O23  1  0.57156600  0.16668900  0.32269100  1
  O  O24  1  0.91887600  0.33045800  0.67156700  1
  O  O25  1  0.64709700  0.43864300  0.15138300  1
  O  O26  1  0.80203500  0.78606000  0.16279000  1
  O  O27  1  0.02096100  0.93606200  0.58523700  1
  O  O28  1  0.00688400  0.68972000  0.60999800  1
  O  O29  1  0.70829900  0.97851300  0.06919000  1
  O  O30  1  0.29894100  0.02986300  0.92552200  1
  O  O31  1  0.98641200  0.31637500  0.36860200  1
  O  O32  1  0.96670700  0.09318100  0.42829200  1
  O  O33  1  0.20421900  0.21337200  0.82386000  1
  O  O34  1  0.34058100  0.57812700  0.86774000  1
  O  O35  1  0.07687300  0.65161400  0.32248200  1
  O  O36  1  0.42587400  0.84648800  0.66924900  1
  O  O37  1  0.52243200  0.40400700  0.56684100  1
  O  O38  1  0.50501500  0.17607400  0.62028700  1
  O  O39  1  0.78497900  0.52189800  0.92547400  1
  O  O40  1  0.69065900  0.71485000  0.83259100  1
  O  O41  1  0.84999100  0.07129100  0.85296900  1
