# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23836700
_cell_length_b   5.26033951
_cell_length_c   10.03285454
_cell_angle_alpha   91.46551225
_cell_angle_beta   89.61809211
_cell_angle_gamma   119.80832516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li3 Fe4 B4 O12'
_cell_volume   239.79923085
_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  0.02253900  0.34992100  0.33740000  1
  Li  Li1  1  0.97462400  0.32603400  0.83375700  1
  Li  Li2  1  0.98932200  0.65605300  0.09574800  1
  Fe  Fe3  1  0.33904000  0.32641400  0.61550100  1
  Fe  Fe4  1  0.31134100  0.99510600  0.86857700  1
  Fe  Fe5  1  0.66122900  0.99107200  0.12093200  1
  Fe  Fe6  1  0.67549800  0.67341000  0.37018300  1
  B  B7  1  0.66131500  0.66688400  0.87283500  1
  B  B8  1  0.66495000  0.99169400  0.62326900  1
  B  B9  1  0.34242700  0.99995400  0.36997100  1
  B  B10  1  0.33423100  0.33071200  0.12431000  1
  O  O11  1  0.62876900  0.72647300  0.57505800  1
  O  O12  1  0.66888100  0.92840900  0.90814100  1
  O  O13  1  0.39711200  0.42602300  0.82496700  1
  O  O14  1  0.42074400  0.01589300  0.65867300  1
  O  O15  1  0.07707300  0.34035200  0.13549300  1
  O  O16  1  0.94053500  0.23099100  0.64053100  1
  O  O17  1  0.08771100  0.73958300  0.36285900  1
  O  O18  1  0.90859200  0.64034300  0.88772500  1
  O  O19  1  0.61297000  0.02863300  0.33232700  1
  O  O20  1  0.60325200  0.57922300  0.15956200  1
  O  O21  1  0.32951200  0.07546600  0.08089200  1
  O  O22  1  0.33707900  0.25687200  0.41457400  1
