# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28621500
_cell_length_b   9.08933075
_cell_length_c   10.07349231
_cell_angle_alpha   89.25778775
_cell_angle_beta   89.01267815
_cell_angle_gamma   89.72889877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.89535142
_cell_formula_units_Z   4
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  0.64889000  0.99175500  0.91183400  1
  Li  Li1  1  0.84366000  0.51262800  0.66094200  1
  Li  Li2  1  0.85353600  0.48695500  0.16719000  1
  Li  Li3  1  0.33663700  0.01092000  0.64680600  1
  Fe  Fe4  1  0.15558600  0.82688600  0.88079700  1
  Fe  Fe5  1  0.83659300  0.84742200  0.61958000  1
  Fe  Fe6  1  0.34094600  0.66515000  0.13233400  1
  Fe  Fe7  1  0.65565400  0.66885500  0.37905100  1
  Fe  Fe8  1  0.33531200  0.34520500  0.62810700  1
  Fe  Fe9  1  0.16742100  0.16714100  0.37237300  1
  Fe  Fe10  1  0.65568700  0.33458300  0.88243200  1
  Fe  Fe11  1  0.83767700  0.14797900  0.13677200  1
  B  B12  1  0.16347500  0.83430700  0.37895100  1
  B  B13  1  0.33144800  0.67025600  0.62850500  1
  B  B14  1  0.82819200  0.82629900  0.12178000  1
  B  B15  1  0.66066300  0.67119200  0.87297400  1
  B  B16  1  0.33542600  0.33588400  0.12875300  1
  B  B17  1  0.66276900  0.32854300  0.37710400  1
  B  B18  1  0.16189300  0.16309600  0.87638900  1
  B  B19  1  0.83446500  0.17252400  0.63430700  1
  O  O20  1  0.26765600  0.96999800  0.38551000  1
  O  O21  1  0.07669700  0.81877900  0.07421600  1
  O  O22  1  0.69143800  0.95189100  0.10713400  1
  O  O23  1  0.22385300  0.80343300  0.67352800  1
  O  O24  1  0.30768300  0.71358500  0.34098600  1
  O  O25  1  0.79809500  0.79872200  0.83867100  1
  O  O26  1  0.91182500  0.81231800  0.41740800  1
  O  O27  1  0.41895100  0.68993500  0.92167200  1
  O  O28  1  0.19252300  0.54570600  0.62910600  1
  O  O29  1  0.58728200  0.66952200  0.58469500  1
  O  O30  1  0.72576700  0.69543400  0.17625000  1
  O  O31  1  0.20627800  0.46445700  0.13012400  1
  O  O32  1  0.76273000  0.53478900  0.85636900  1
  O  O33  1  0.30316400  0.28774300  0.84680100  1
  O  O34  1  0.41865700  0.30720900  0.42517300  1
  O  O35  1  0.75673000  0.46760100  0.36056100  1
  O  O36  1  0.59381400  0.33072800  0.08341100  1
  O  O37  1  0.08692800  0.17096300  0.59041500  1
  O  O38  1  0.22006400  0.20553400  0.17333800  1
  O  O39  1  0.72466600  0.30689000  0.67631700  1
  O  O40  1  0.81059600  0.20764300  0.34289400  1
  O  O41  1  0.27739500  0.02705900  0.86272200  1
  O  O42  1  0.90636100  0.17304000  0.91375500  1
  O  O43  1  0.69422300  0.04697000  0.64084400  1
