# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24555500
_cell_length_b   9.15339330
_cell_length_c   10.02392923
_cell_angle_alpha   88.60752755
_cell_angle_beta   89.31971186
_cell_angle_gamma   88.74397830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   481.00652926
_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  0.32675300  0.32694300  0.41447000  1
  Li  Li1  1  0.33044500  0.32397500  0.91104800  1
  Li  Li2  1  0.82761000  0.82790000  0.40622300  1
  Fe  Fe3  1  0.16338400  0.83315300  0.63208500  1
  Fe  Fe4  1  0.16513800  0.50385500  0.13001000  1
  Fe  Fe5  1  0.32574300  0.98835800  0.87769100  1
  Fe  Fe6  1  0.35154100  0.66015500  0.37711600  1
  Fe  Fe7  1  0.67750500  0.33711800  0.63080400  1
  Fe  Fe8  1  0.66456400  0.00111300  0.12846800  1
  Fe  Fe9  1  0.84629000  0.15890600  0.37449400  1
  Fe  Fe10  1  0.81673600  0.51989900  0.87650600  1
  B  B11  1  0.16537300  0.50095900  0.62614500  1
  B  B12  1  0.16714100  0.82952800  0.12800400  1
  B  B13  1  0.33831500  0.99945300  0.37983400  1
  B  B14  1  0.32602900  0.67134300  0.87688400  1
  B  B15  1  0.66040700  0.99952100  0.62790000  1
  B  B16  1  0.66913900  0.33111100  0.12374400  1
  B  B17  1  0.84250100  0.49793400  0.37860000  1
  B  B18  1  0.82616800  0.16850800  0.87798500  1
  O  O19  1  0.10082800  0.48165900  0.33667200  1
  O  O20  1  0.08827600  0.15554700  0.87657800  1
  O  O21  1  0.17278700  0.79682000  0.83593000  1
  O  O22  1  0.21616500  0.87233800  0.42678100  1
  O  O23  1  0.22009100  0.13262300  0.37961600  1
  O  O24  1  0.19804100  0.54448800  0.92134300  1
  O  O25  1  0.32128600  0.37838000  0.61934000  1
  O  O26  1  0.32542700  0.93901800  0.07438400  1
  O  O27  1  0.25736400  0.63659900  0.58763300  1
  O  O28  1  0.27887900  0.69746000  0.16804300  1
  O  O29  1  0.40867100  0.34788400  0.11241900  1
  O  O30  1  0.41049100  0.98641100  0.67922300  1
  O  O31  1  0.59209400  0.98313700  0.33349100  1
  O  O32  1  0.57810200  0.68142700  0.87141000  1
  O  O33  1  0.69506500  0.29633200  0.83546500  1
  O  O34  1  0.71429700  0.37073000  0.42185500  1
  O  O35  1  0.72508600  0.63106600  0.37858400  1
  O  O36  1  0.67395200  0.05328600  0.92484600  1
  O  O37  1  0.82746200  0.44477800  0.08735500  1
  O  O38  1  0.81100700  0.87773800  0.61030200  1
  O  O39  1  0.74607800  0.13552100  0.58769300  1
  O  O40  1  0.77281400  0.19715300  0.16605300  1
  O  O41  1  0.91409300  0.85440000  0.14230300  1
  O  O42  1  0.91326200  0.48913100  0.66529200  1
