# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21721900
_cell_length_b   5.23453006
_cell_length_c   10.29807839
_cell_angle_alpha   90.34065921
_cell_angle_beta   91.45891890
_cell_angle_gamma   119.18352421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li2 Fe4 B4 O12'
_cell_volume   245.40380191
_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  0.66795500  0.65058900  0.65155300  1
  Li  Li1  1  0.34649800  0.35224600  0.91612300  1
  Fe  Fe2  1  0.99922500  0.66436300  0.36611400  1
  Fe  Fe3  1  0.31977100  0.00580200  0.13589000  1
  Fe  Fe4  1  0.67999400  0.99892200  0.89211800  1
  Fe  Fe5  1  0.99981500  0.32743100  0.62827400  1
  B  B6  1  0.99849000  0.33661100  0.12512300  1
  B  B7  1  0.66240800  0.00152600  0.38989800  1
  B  B8  1  0.33830700  0.99682100  0.62781300  1
  B  B9  1  0.00837600  0.66811900  0.86371500  1
  O  O10  1  0.89515800  0.27842500  0.43408200  1
  O  O11  1  0.73158100  0.10001500  0.08850800  1
  O  O12  1  0.00102600  0.58474000  0.18201000  1
  O  O13  1  0.39852300  0.98501000  0.35428300  1
  O  O14  1  0.73779400  0.65380200  0.84990000  1
  O  O15  1  0.70600200  0.76658300  0.39124100  1
  O  O16  1  0.32471300  0.25259500  0.63426600  1
  O  O17  1  0.25712700  0.34207700  0.10207300  1
  O  O18  1  0.60126900  0.99620300  0.65553500  1
  O  O19  1  0.02907400  0.41567200  0.82532000  1
  O  O20  1  0.25340700  0.91619900  0.90923300  1
  O  O21  1  0.08459300  0.73229300  0.59616700  1
