# generated using pymatgen
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57341566
_cell_length_b   7.77390401
_cell_length_c   6.81433707
_cell_angle_alpha   90.00338842
_cell_angle_beta   70.14052349
_cell_angle_gamma   89.99552037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBO3
_chemical_formula_sum   'Li4 Fe4 B4 O12'
_cell_volume   277.68744026
_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  0.25663100  0.05751600  0.09527900  1
  Li  Li1  1  0.24337400  0.55751800  0.40471600  1
  Li  Li2  1  0.75675800  0.44248600  0.59538700  1
  Li  Li3  1  0.74325500  0.94244600  0.90460300  1
  Fe  Fe4  1  0.63922900  0.25038900  0.24864100  1
  Fe  Fe5  1  0.86063700  0.75045000  0.25134000  1
  Fe  Fe6  1  0.13922600  0.24918000  0.74857200  1
  Fe  Fe7  1  0.36077700  0.74922200  0.75140200  1
  B  B8  1  0.10715700  0.36945000  0.19132200  1
  B  B9  1  0.39278800  0.86943700  0.30869200  1
  B  B10  1  0.60702200  0.13066900  0.69137400  1
  B  B11  1  0.89305400  0.63064800  0.80862600  1
  O  O12  1  0.02420600  0.24277000  0.08168400  1
  O  O13  1  0.47572000  0.74278100  0.41839400  1
  O  O14  1  0.52425400  0.25742900  0.58172400  1
  O  O15  1  0.97585000  0.75742000  0.91823300  1
  O  O16  1  0.06927900  0.50850500  0.69913800  1
  O  O17  1  0.56920600  0.99152800  0.19906900  1
  O  O18  1  0.43073000  0.00857500  0.80084300  1
  O  O19  1  0.93083800  0.49161200  0.30092100  1
  O  O20  1  0.34466000  0.36317100  0.20790900  1
  O  O21  1  0.15532500  0.86319000  0.29204700  1
  O  O22  1  0.84452600  0.13678600  0.70796900  1
  O  O23  1  0.65549900  0.63682100  0.79211600  1
