# generated using pymatgen
data_Li5Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22009500
_cell_length_b   9.08148314
_cell_length_c   10.25588674
_cell_angle_alpha   89.01411516
_cell_angle_beta   89.23996784
_cell_angle_gamma   89.82965466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe8(BO3)8
_chemical_formula_sum   'Li5 Fe8 B8 O24'
_cell_volume   486.07609179
_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  0.14668300  0.17007600  0.66171600  1
  Li  Li1  1  0.18704500  0.16624600  0.16992100  1
  Li  Li2  1  0.32265700  0.33489000  0.40885700  1
  Li  Li3  1  0.33704600  0.32209700  0.91523300  1
  Li  Li4  1  0.68192900  0.66786500  0.15498600  1
  Fe  Fe5  1  0.16794400  0.83008800  0.63098500  1
  Fe  Fe6  1  0.18143600  0.50323900  0.13630000  1
  Fe  Fe7  1  0.31865400  0.98725500  0.88007000  1
  Fe  Fe8  1  0.33784000  0.66671600  0.38218300  1
  Fe  Fe9  1  0.65502300  0.34751700  0.62577000  1
  Fe  Fe10  1  0.67016400  0.00546900  0.12768800  1
  Fe  Fe11  1  0.82883100  0.15111400  0.38917800  1
  Fe  Fe12  1  0.83730300  0.50506900  0.87468000  1
  B  B13  1  0.15369100  0.49755600  0.62627400  1
  B  B14  1  0.16559000  0.83890400  0.12969000  1
  B  B15  1  0.33710900  0.00020000  0.37747900  1
  B  B16  1  0.33962300  0.65755000  0.87539900  1
  B  B17  1  0.67125900  0.00144100  0.63620500  1
  B  B18  1  0.67622300  0.32942300  0.12025300  1
  B  B19  1  0.82883300  0.48874400  0.36673900  1
  B  B20  1  0.82515400  0.17507700  0.88309300  1
  O  O21  1  0.09352800  0.48351500  0.34061100  1
  O  O22  1  0.08782100  0.16985500  0.86389000  1
  O  O23  1  0.21436900  0.78133900  0.82806600  1
  O  O24  1  0.23220800  0.87659200  0.43713000  1
  O  O25  1  0.20653600  0.13332900  0.36822000  1
  O  O26  1  0.19959300  0.53101400  0.91360700  1
  O  O27  1  0.27599000  0.36387800  0.60791900  1
  O  O28  1  0.29940700  0.96804100  0.09376700  1
  O  O29  1  0.26667400  0.62833600  0.58567600  1
  O  O30  1  0.30098300  0.71278400  0.16205700  1
  O  O31  1  0.41146500  0.32258600  0.11510600  1
  O  O32  1  0.40541800  0.00130700  0.66635300  1
  O  O33  1  0.58139800  0.99553600  0.32047300  1
  O  O34  1  0.59821800  0.65569100  0.89145700  1
  O  O35  1  0.68874300  0.30450600  0.84893200  1
  O  O36  1  0.70461200  0.36356600  0.41786800  1
  O  O37  1  0.69212200  0.61349100  0.33919000  1
  O  O38  1  0.68394200  0.05866800  0.93489000  1
  O  O39  1  0.80647800  0.45761800  0.08236400  1
  O  O40  1  0.81685700  0.87692200  0.64402500  1
  O  O41  1  0.78590100  0.13456000  0.59747100  1
  O  O42  1  0.81728300  0.20549300  0.16058700  1
  O  O43  1  0.90299500  0.84225300  0.13042300  1
  O  O44  1  0.91093600  0.49979000  0.68317500  1
