# generated using pymatgen
data_Li5Fe6(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76974472
_cell_length_b   8.76974472
_cell_length_c   8.24783452
_cell_angle_alpha   62.36434809
_cell_angle_beta   62.36434809
_cell_angle_gamma   41.65040199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe6(BO3)6
_chemical_formula_sum   'Li5 Fe6 B6 O18'
_cell_volume   365.98878553
_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  0.24157600  0.24157600  0.30117700  1
  Li  Li1  1  0.40011900  0.40011900  0.71623800  1
  Li  Li2  1  0.90067700  0.90067700  0.71424200  1
  Li  Li3  1  0.60778200  0.60778200  0.98105100  1
  Li  Li4  1  0.10877000  0.10877000  0.98514400  1
  Fe  Fe5  1  0.68202500  0.16928900  0.01454400  1
  Fe  Fe6  1  0.16928900  0.68202500  0.01454400  1
  Fe  Fe7  1  0.51131700  0.99799400  0.62349500  1
  Fe  Fe8  1  0.99799400  0.51131700  0.62349500  1
  Fe  Fe9  1  0.32581800  0.81465600  0.36035800  1
  Fe  Fe10  1  0.81465600  0.32581800  0.36035800  1
  B  B11  1  0.08343100  0.08343100  0.66780100  1
  B  B12  1  0.58014900  0.58014900  0.67441100  1
  B  B13  1  0.41638300  0.41638300  0.33637900  1
  B  B14  1  0.92136800  0.92136700  0.33111600  1
  B  B15  1  0.49477800  0.00275300  0.99694300  1
  B  B16  1  0.00275300  0.49477800  0.99694300  1
  O  O17  1  0.97248400  0.43730500  0.18669300  1
  O  O18  1  0.43730500  0.97248400  0.18669300  1
  O  O19  1  0.04170700  0.04170700  0.55751600  1
  O  O20  1  0.54033300  0.54033300  0.55977100  1
  O  O21  1  0.09755900  0.59660800  0.88961600  1
  O  O22  1  0.59660800  0.09755900  0.88961600  1
  O  O23  1  0.67644600  0.67644600  0.59996200  1
  O  O24  1  0.18102100  0.18102100  0.58259700  1
  O  O25  1  0.52224900  0.52224900  0.86751500  1
  O  O26  1  0.02899100  0.02899100  0.86126500  1
  O  O27  1  0.88510300  0.88510300  0.21223900  1
  O  O28  1  0.37670300  0.37670300  0.22128900  1
  O  O29  1  0.94646300  0.44682000  0.90413300  1
  O  O30  1  0.44682000  0.94646300  0.90413300  1
  O  O31  1  0.51364000  0.51364000  0.26043500  1
  O  O32  1  0.01789100  0.01789100  0.26004600  1
  O  O33  1  0.35810600  0.35810600  0.53035200  1
  O  O34  1  0.86025400  0.86025400  0.52506200  1
