# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24822800
_cell_length_b   9.13174281
_cell_length_c   11.49101187
_cell_angle_alpha   112.98763358
_cell_angle_beta   102.53377524
_cell_angle_gamma   90.86631413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   491.83170676
_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  0.00285900  0.34607800  0.33307000  1
  Li  Li1  1  0.23712300  0.59257100  0.83922300  1
  Fe  Fe2  1  0.97534500  0.97329000  0.62236400  1
  Fe  Fe3  1  0.73654200  0.05292200  0.11776200  1
  Fe  Fe4  1  0.53062700  0.53656200  0.37428700  1
  Fe  Fe5  1  0.76405100  0.43151000  0.87409500  1
  Fe  Fe6  1  0.23613400  0.56059600  0.12887300  1
  Fe  Fe7  1  0.48700500  0.46700600  0.61483000  1
  Fe  Fe8  1  0.01121400  0.01478400  0.36741300  1
  Fe  Fe9  1  0.26591500  0.94712300  0.87607300  1
  B  B10  1  0.98047100  0.30564900  0.62525700  1
  B  B11  1  0.73195400  0.72238500  0.12061100  1
  B  B12  1  0.51509400  0.18740300  0.37381500  1
  B  B13  1  0.76295100  0.76131500  0.86822400  1
  B  B14  1  0.47306800  0.81316400  0.63026700  1
  B  B15  1  0.23806800  0.23314900  0.12320300  1
  B  B16  1  0.03438300  0.68686400  0.37532700  1
  B  B17  1  0.26341900  0.26921500  0.86943700  1
  O  O18  1  0.00455300  0.22619000  0.15317500  1
  O  O19  1  0.86696500  0.87417200  0.18045500  1
  O  O20  1  0.86899200  0.59060200  0.06477300  1
  O  O21  1  0.90469300  0.56063500  0.38053900  1
  O  O22  1  0.96515800  0.84322300  0.42976400  1
  O  O23  1  0.75936300  0.17361400  0.34110300  1
  O  O24  1  0.75085700  0.33990600  0.66983700  1
  O  O25  1  0.47166300  0.69858700  0.10862300  1
  O  O26  1  0.38007600  0.38190900  0.16006100  1
  O  O27  1  0.52412000  0.65413000  0.58057300  1
  O  O28  1  0.63396600  0.92891900  0.62951600  1
  O  O29  1  0.35064600  0.09479900  0.05950000  1
  O  O30  1  0.62844600  0.89256400  0.91256800  1
  O  O31  1  0.35734100  0.06197100  0.36044900  1
  O  O32  1  0.43294800  0.34360000  0.42245800  1
  O  O33  1  0.61879800  0.60852500  0.82567600  1
  O  O34  1  0.52094900  0.28129100  0.87058600  1
  O  O35  1  0.24513100  0.66613700  0.31742300  1
  O  O36  1  0.24577600  0.84854500  0.67816700  1
  O  O37  1  0.02985400  0.14811100  0.56769100  1
  O  O38  1  0.15528000  0.43149600  0.64656700  1
  O  O39  1  0.13913000  0.41035100  0.91112000  1
  O  O40  1  0.11560900  0.12115500  0.82451600  1
  O  O41  1  0.02313300  0.77398500  0.86640600  1
