# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31654600
_cell_length_b   9.01030449
_cell_length_c   11.39895131
_cell_angle_alpha   112.99920612
_cell_angle_beta   102.98083586
_cell_angle_gamma   89.79004716
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   487.64377619
_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  0.39853900  0.05580900  0.11194400  1
  Li  Li1  1  0.57674300  0.91654700  0.84646300  1
  Fe  Fe2  1  0.60113500  0.59417500  0.86951200  1
  Fe  Fe3  1  0.90231800  0.88823000  0.12067800  1
  Fe  Fe4  1  0.15271300  0.47699800  0.62148300  1
  Fe  Fe5  1  0.34365500  0.01522300  0.37054200  1
  Fe  Fe6  1  0.66079500  0.98161000  0.62194500  1
  Fe  Fe7  1  0.84841100  0.51841600  0.37116200  1
  Fe  Fe8  1  0.08886900  0.10521800  0.87427700  1
  Fe  Fe9  1  0.39968600  0.40063500  0.12513800  1
  B  B10  1  0.35031800  0.35366900  0.36735700  1
  B  B11  1  0.11050800  0.76835300  0.87156100  1
  B  B12  1  0.85757300  0.85563500  0.37448600  1
  B  B13  1  0.59436100  0.26563000  0.87361400  1
  B  B14  1  0.14735600  0.14059300  0.61992900  1
  B  B15  1  0.40148400  0.72999600  0.11999400  1
  B  B16  1  0.65247500  0.64203700  0.62723600  1
  B  B17  1  0.88727800  0.22973800  0.12366300  1
  O  O18  1  0.86760800  0.76960100  0.90036100  1
  O  O19  1  0.53222900  0.53945500  0.66807200  1
  O  O20  1  0.75308100  0.09090400  0.10354600  1
  O  O21  1  0.42570200  0.20406100  0.34682000  1
  O  O22  1  0.14581300  0.41013300  0.42699900  1
  O  O23  1  0.21565400  0.62053300  0.82006300  1
  O  O24  1  0.69951000  0.39319300  0.86126100  1
  O  O25  1  0.97245600  0.95343300  0.32878600  1
  O  O26  1  0.30818600  0.88372400  0.16870100  1
  O  O27  1  0.36192600  0.08766700  0.56696200  1
  O  O28  1  0.05733500  0.28239100  0.62520000  1
  O  O29  1  0.60432100  0.71841900  0.05876000  1
  O  O30  1  0.39577000  0.27771200  0.93664000  1
  O  O31  1  0.64017200  0.90760800  0.42577100  1
  O  O32  1  0.68585400  0.11182700  0.82092300  1
  O  O33  1  0.03101200  0.04315400  0.66589700  1
  O  O34  1  0.30017800  0.60247700  0.13358100  1
  O  O35  1  0.78664500  0.38048400  0.17427500  1
  O  O36  1  0.85561400  0.58639800  0.56744100  1
  O  O37  1  0.57824800  0.79338500  0.65003200  1
  O  O38  1  0.94810900  0.71470500  0.37108400  1
  O  O39  1  0.24589400  0.91070400  0.89599100  1
  O  O40  1  0.46925500  0.45707900  0.32669600  1
  O  O41  1  0.12836700  0.22669000  0.09122900  1
