# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23778212
_cell_length_b   9.03743456
_cell_length_c   11.48973983
_cell_angle_alpha   113.35305961
_cell_angle_beta   78.52484051
_cell_angle_gamma   89.38977576
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   486.91619776
_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  0.17020800  0.16000000  0.33368300  1
  Li  Li1  1  0.35846000  0.29205500  0.59886100  1
  Li  Li2  1  0.60984200  0.04986100  0.08763300  1
  Li  Li3  1  0.91799100  0.42570000  0.83694800  1
  Li  Li4  1  0.68177200  0.65379100  0.33133400  1
  Li  Li5  1  0.42159500  0.93476500  0.83430200  1
  Fe  Fe6  1  0.39976500  0.27379300  0.87461500  1
  Fe  Fe7  1  0.09060500  0.23877600  0.11820500  1
  Fe  Fe8  1  0.83970600  0.13603700  0.62208200  1
  Fe  Fe9  1  0.65980800  0.34508500  0.37185500  1
  Fe  Fe10  1  0.34914800  0.64645300  0.62177500  1
  Fe  Fe11  1  0.15540600  0.84576900  0.36318700  1
  Fe  Fe12  1  0.90858800  0.77758500  0.87043700  1
  Fe  Fe13  1  0.60673800  0.71349700  0.11044000  1
  B  B14  1  0.64003200  0.01512300  0.37365200  1
  B  B15  1  0.89447100  0.10644600  0.87298300  1
  B  B16  1  0.15187200  0.52417900  0.37792400  1
  B  B17  1  0.40798900  0.60027500  0.86081400  1
  B  B18  1  0.85743500  0.47637700  0.62363300  1
  B  B19  1  0.59500500  0.38826000  0.12579000  1
  B  B20  1  0.34252200  0.97852500  0.61821100  1
  B  B21  1  0.09843400  0.90231100  0.13029200  1
  O  O22  1  0.13842100  0.11611500  0.90219000  1
  O  O23  1  0.44475400  0.12761800  0.65910700  1
  O  O24  1  0.23017000  0.03585800  0.13862000  1
  O  O25  1  0.49297600  0.15160000  0.38885400  1
  O  O26  1  0.89102000  0.02969500  0.39938200  1
  O  O27  1  0.79958700  0.21664900  0.83042400  1
  O  O28  1  0.26604200  0.47258900  0.85354200  1
  O  O29  1  0.05510000  0.37452900  0.34435600  1
  O  O30  1  0.69493800  0.27310100  0.16526800  1
  O  O31  1  0.61380000  0.46721800  0.58807700  1
  O  O32  1  0.97789400  0.34546100  0.63050300  1
  O  O33  1  0.38422100  0.35165500  0.06789400  1
  O  O34  1  0.64308700  0.61734700  0.90199400  1
  O  O35  1  0.38945800  0.54702900  0.42154200  1
  O  O36  1  0.31773300  0.72014800  0.82309600  1
  O  O37  1  0.97622600  0.61939400  0.65510500  1
  O  O38  1  0.70549500  0.52911800  0.14813400  1
  O  O39  1  0.20034900  0.79192800  0.17203500  1
  O  O40  1  0.13770800  0.95563100  0.55508800  1
  O  O41  1  0.44435600  0.85672400  0.64410000  1
  O  O42  1  0.02554500  0.64890600  0.36590400  1
  O  O43  1  0.74099900  0.98935300  0.89067100  1
  O  O44  1  0.54318800  0.86435000  0.33757800  1
  O  O45  1  0.86854100  0.87660200  0.08445000  1
