# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21698285
_cell_length_b   9.12637421
_cell_length_c   11.43367759
_cell_angle_alpha   67.91252328
_cell_angle_beta   77.23465628
_cell_angle_gamma   89.79590899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   490.05377037
_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  0.97096100  0.95365300  0.42443000  1
  Li  Li1  1  0.70739400  0.71648800  0.90940400  1
  Li  Li2  1  0.51400400  0.49989300  0.65925300  1
  Li  Li3  1  0.73298300  0.75000000  0.16847600  1
  Li  Li4  1  0.21075700  0.21873100  0.90889400  1
  Li  Li5  1  0.23214600  0.25383300  0.16218300  1
  Fe  Fe6  1  0.98425800  0.63585400  0.38458700  1
  Fe  Fe7  1  0.73217500  0.06529300  0.87438500  1
  Fe  Fe8  1  0.51527800  0.84978600  0.63380800  1
  Fe  Fe9  1  0.75110800  0.43524800  0.13003400  1
  Fe  Fe10  1  0.23401900  0.56339500  0.87960800  1
  Fe  Fe11  1  0.47902500  0.14969700  0.38784700  1
  Fe  Fe12  1  0.03275100  0.34206400  0.62181400  1
  Fe  Fe13  1  0.26197800  0.92670100  0.13755800  1
  B  B14  1  0.97951600  0.30757800  0.37463600  1
  B  B15  1  0.72558200  0.39244000  0.87906100  1
  B  B16  1  0.52532100  0.18768000  0.63413000  1
  B  B17  1  0.76729000  0.10822300  0.12166900  1
  B  B18  1  0.48131200  0.82773000  0.37115300  1
  B  B19  1  0.22880400  0.89828800  0.88093900  1
  B  B20  1  0.01659600  0.67952900  0.62833500  1
  B  B21  1  0.26831800  0.60513000  0.12397300  1
  O  O22  1  0.96314300  0.89813900  0.88372400  1
  O  O23  1  0.87963500  0.27388600  0.85729300  1
  O  O24  1  0.83116500  0.50222000  0.91671600  1
  O  O25  1  0.89754100  0.81760800  0.61509200  1
  O  O26  1  0.90163500  0.56283500  0.59878100  1
  O  O27  1  0.74694900  0.15218400  0.68646000  1
  O  O28  1  0.74278300  0.32198100  0.33577900  1
  O  O29  1  0.47116600  0.39514000  0.86363400  1
  O  O30  1  0.38131200  0.78893300  0.84771700  1
  O  O31  1  0.57798200  0.93715800  0.41589500  1
  O  O32  1  0.63678600  0.71723800  0.35094800  1
  O  O33  1  0.34716800  0.01064400  0.91372400  1
  O  O34  1  0.65850400  0.99855500  0.08135100  1
  O  O35  1  0.39553400  0.31512600  0.63937700  1
  O  O36  1  0.44734100  0.09042900  0.57658500  1
  O  O37  1  0.59667200  0.20223500  0.16990200  1
  O  O38  1  0.53935900  0.62352900  0.10890600  1
  O  O39  1  0.25552100  0.65717200  0.66727900  1
  O  O40  1  0.23104000  0.84403900  0.34477200  1
  O  O41  1  0.06686300  0.41072100  0.42034700  1
  O  O42  1  0.12675900  0.18338400  0.36230700  1
  O  O43  1  0.16178000  0.48523300  0.09592700  1
  O  O44  1  0.10566400  0.70807600  0.16261300  1
  O  O45  1  0.03351600  0.12126400  0.11173900  1
