# generated using pymatgen
data_Li3Fe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06327800
_cell_length_b   5.25285000
_cell_length_c   11.39418780
_cell_angle_alpha   63.79370956
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(BO3)4
_chemical_formula_sum   'Li6 Fe8 B8 O24'
_cell_volume   486.69594393
_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  0.26680700  0.49225900  0.16570600  1
  Li  Li1  1  0.25790600  0.43796300  0.90543200  1
  Li  Li2  1  0.74209400  0.43796300  0.40543200  1
  Li  Li3  1  0.73319300  0.49225900  0.66570600  1
  Li  Li4  1  0.75495200  0.99953600  0.16372300  1
  Li  Li5  1  0.24504800  0.99953600  0.66372300  1
  Fe  Fe6  1  0.42742400  0.97073800  0.87875800  1
  Fe  Fe7  1  0.40698300  0.54095400  0.62540600  1
  Fe  Fe8  1  0.59301700  0.54095400  0.12540600  1
  Fe  Fe9  1  0.57257600  0.97073800  0.37875800  1
  Fe  Fe10  1  0.90522500  0.02507300  0.63376100  1
  Fe  Fe11  1  0.08786600  0.45697100  0.38315800  1
  Fe  Fe12  1  0.91213400  0.45697100  0.88315800  1
  Fe  Fe13  1  0.09477500  0.02507300  0.13376100  1
  B  B14  1  0.41851200  0.47004100  0.37659400  1
  B  B15  1  0.58126400  0.04030800  0.62527200  1
  B  B16  1  0.41873600  0.04030800  0.12527200  1
  B  B17  1  0.58148800  0.47004100  0.87659400  1
  B  B18  1  0.92109100  0.53408600  0.13201800  1
  B  B19  1  0.91717600  0.95431300  0.37629800  1
  B  B20  1  0.08282400  0.95431300  0.87629800  1
  B  B21  1  0.07890900  0.53408600  0.63201800  1
  O  O22  1  0.28287400  0.36384900  0.35886700  1
  O  O23  1  0.41081900  0.80781900  0.09821900  1
  O  O24  1  0.29170600  0.20564900  0.10781000  1
  O  O25  1  0.44985800  0.11506900  0.66449800  1
  O  O26  1  0.54790100  0.37799600  0.34145200  1
  O  O27  1  0.45209900  0.37799600  0.84145200  1
  O  O28  1  0.42312100  0.66208400  0.42607500  1
  O  O29  1  0.57687900  0.66208400  0.92607500  1
  O  O30  1  0.70829400  0.20564900  0.60781000  1
  O  O31  1  0.58918100  0.80781900  0.59821900  1
  O  O32  1  0.55014200  0.11506900  0.16449800  1
  O  O33  1  0.79712600  0.66674600  0.14087300  1
  O  O34  1  0.71712600  0.36384900  0.85886700  1
  O  O35  1  0.95396800  0.85055900  0.84455500  1
  O  O36  1  0.92761500  0.17628100  0.41398700  1
  O  O37  1  0.78424600  0.84361100  0.36650200  1
  O  O38  1  0.91739400  0.32447700  0.08447700  1
  O  O39  1  0.08260600  0.32447700  0.58447700  1
  O  O40  1  0.05758200  0.59575700  0.17327500  1
  O  O41  1  0.94241800  0.59575700  0.67327500  1
  O  O42  1  0.04603200  0.85055900  0.34455500  1
  O  O43  1  0.21575400  0.84361100  0.86650200  1
  O  O44  1  0.07238500  0.17628100  0.91398700  1
  O  O45  1  0.20287400  0.66674600  0.64087300  1
