# generated using pymatgen
data_LiFeB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31004036
_cell_length_b   7.31004036
_cell_length_c   9.78424706
_cell_angle_alpha   69.46284360
_cell_angle_beta   69.46284360
_cell_angle_gamma   90.97892129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeB2O5
_chemical_formula_sum   'Li4 Fe4 B8 O20'
_cell_volume   452.59784431
_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  0.83885500  0.16114500  0.75000000  1
  Li  Li1  1  0.37878500  0.62121500  0.75000000  1
  Li  Li2  1  0.62121500  0.37878500  0.25000000  1
  Li  Li3  1  0.16114500  0.83885500  0.25000000  1
  Fe  Fe4  1  0.95750600  0.64725300  0.65106000  1
  Fe  Fe5  1  0.64725300  0.95750600  0.15106000  1
  Fe  Fe6  1  0.35274700  0.04249400  0.84894000  1
  Fe  Fe7  1  0.04249400  0.35274700  0.34894000  1
  B  B8  1  0.76117700  0.77252700  0.90538800  1
  B  B9  1  0.73691900  0.40058300  0.97458500  1
  B  B10  1  0.77252700  0.76117700  0.40538800  1
  B  B11  1  0.40058300  0.73691900  0.47458500  1
  B  B12  1  0.59941700  0.26308100  0.52541500  1
  B  B13  1  0.22747300  0.23882300  0.59461200  1
  B  B14  1  0.26308100  0.59941700  0.02541500  1
  B  B15  1  0.23882300  0.22747300  0.09461200  1
  O  O16  1  0.70633700  0.91896200  0.96141000  1
  O  O17  1  0.85532700  0.82571100  0.74647600  1
  O  O18  1  0.91896200  0.70633700  0.46141000  1
  O  O19  1  0.81639900  0.40492400  0.82502200  1
  O  O20  1  0.33400000  0.76771200  0.89047100  1
  O  O21  1  0.82571100  0.85532700  0.24647600  1
  O  O22  1  0.57309500  0.71716800  0.51250200  1
  O  O23  1  0.28283200  0.42690500  0.98749800  1
  O  O24  1  0.40492400  0.81639900  0.32502200  1
  O  O25  1  0.76771200  0.33400000  0.39047100  1
  O  O26  1  0.23228800  0.66600000  0.60952900  1
  O  O27  1  0.59507600  0.18360100  0.67497800  1
  O  O28  1  0.71716800  0.57309500  0.01250200  1
  O  O29  1  0.42690500  0.28283200  0.48749800  1
  O  O30  1  0.17428900  0.14467300  0.75352400  1
  O  O31  1  0.66600000  0.23228800  0.10952900  1
  O  O32  1  0.18360100  0.59507600  0.17497800  1
  O  O33  1  0.08103800  0.29366300  0.53859000  1
  O  O34  1  0.14467300  0.17428900  0.25352400  1
  O  O35  1  0.29366300  0.08103800  0.03859000  1
