# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23560900
_cell_length_b   5.26274032
_cell_length_c   20.13812686
_cell_angle_alpha   90.06500702
_cell_angle_beta   90.52528554
_cell_angle_gamma   119.20223626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   484.32513580
_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  0.67449500  0.64978200  0.32885500  1
  Li  Li1  1  0.64377300  0.67017800  0.07981500  1
  Li  Li2  1  0.34065000  0.34989100  0.45669600  1
  Fe  Fe3  1  0.01319700  0.67371900  0.18888500  1
  Fe  Fe4  1  0.99781100  0.67196100  0.69056600  1
  Fe  Fe5  1  0.31472300  0.01141900  0.06147300  1
  Fe  Fe6  1  0.32703600  0.99557100  0.56706700  1
  Fe  Fe7  1  0.68016000  0.00637100  0.44023200  1
  Fe  Fe8  1  0.67444000  0.00152300  0.93907200  1
  Fe  Fe9  1  0.00994000  0.32037600  0.31208500  1
  Fe  Fe10  1  0.00064800  0.32729500  0.81445600  1
  B  B11  1  0.99695100  0.34328600  0.06345500  1
  B  B12  1  0.99921200  0.33722200  0.56539100  1
  B  B13  1  0.66905300  0.00832100  0.18661200  1
  B  B14  1  0.65915700  0.00298800  0.68928500  1
  B  B15  1  0.34308200  0.99813400  0.31352500  1
  B  B16  1  0.34219500  0.99894700  0.81327000  1
  B  B17  1  0.00316400  0.66464100  0.44072300  1
  B  B18  1  0.00280600  0.66265200  0.93692400  1
  O  O19  1  0.89246900  0.27313200  0.20954100  1
  O  O20  1  0.87767900  0.26979400  0.71456500  1
  O  O21  1  0.74364300  0.09001000  0.04104500  1
  O  O22  1  0.96929900  0.58345200  0.08521200  1
  O  O23  1  0.72798700  0.11127700  0.54611200  1
  O  O24  1  0.01587200  0.59605800  0.58868600  1
  O  O25  1  0.39982600  0.98180600  0.16876500  1
  O  O26  1  0.73958700  0.66090200  0.43233400  1
  O  O27  1  0.39714600  0.99087100  0.66726200  1
  O  O28  1  0.76127300  0.69606100  0.93828100  1
  O  O29  1  0.71030100  0.77131100  0.17900300  1
  O  O30  1  0.70075500  0.76937100  0.68594200  1
  O  O31  1  0.35313200  0.26223000  0.31797600  1
  O  O32  1  0.29899900  0.23175200  0.81499700  1
  O  O33  1  0.26188200  0.35582800  0.06417700  1
  O  O34  1  0.58790200  0.97305200  0.33153800  1
  O  O35  1  0.24621000  0.31105500  0.55882300  1
  O  O36  1  0.60208300  0.01103900  0.83548100  1
  O  O37  1  0.02634900  0.42046100  0.42404900  1
  O  O38  1  0.98480300  0.40081400  0.91447800  1
  O  O39  1  0.25252000  0.91597000  0.46499500  1
  O  O40  1  0.27258100  0.88336000  0.95881200  1
  O  O41  1  0.08155100  0.74694300  0.29248400  1
  O  O42  1  0.12344100  0.73020400  0.78775600  1
