# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25805000
_cell_length_b   5.27766231
_cell_length_c   20.12262996
_cell_angle_alpha   91.11036630
_cell_angle_beta   90.64206370
_cell_angle_gamma   118.74385465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   489.37325560
_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  0.64671800  0.66962800  0.07712100  1
  Li  Li1  1  0.66531000  0.64223500  0.82680200  1
  Li  Li2  1  0.35018200  0.34539500  0.21058000  1
  Li  Li3  1  0.34751100  0.35189500  0.45556000  1
  Fe  Fe4  1  0.01520100  0.67562900  0.19184400  1
  Fe  Fe5  1  0.00793400  0.67493400  0.68931400  1
  Fe  Fe6  1  0.31473600  0.00618400  0.06316600  1
  Fe  Fe7  1  0.32089100  0.98640500  0.56459000  1
  Fe  Fe8  1  0.67631800  0.99036000  0.43810400  1
  Fe  Fe9  1  0.67857100  0.02424400  0.93815500  1
  Fe  Fe10  1  0.97975900  0.33189400  0.32068900  1
  Fe  Fe11  1  0.00899600  0.31699100  0.81173100  1
  B  B12  1  0.99727700  0.34206000  0.06637500  1
  B  B13  1  0.99153900  0.33168100  0.56432300  1
  B  B14  1  0.66874600  0.00713600  0.18694300  1
  B  B15  1  0.66445100  0.00680200  0.68871200  1
  B  B16  1  0.34163900  0.00529600  0.30999300  1
  B  B17  1  0.33860700  0.99357800  0.81503900  1
  B  B18  1  0.00007600  0.65741400  0.44143400  1
  B  B19  1  0.01346400  0.67433100  0.93686600  1
  O  O20  1  0.91063100  0.26696300  0.20394800  1
  O  O21  1  0.87946200  0.27689800  0.71054000  1
  O  O22  1  0.74783100  0.09260200  0.04307500  1
  O  O23  1  0.97277000  0.58692500  0.08680400  1
  O  O24  1  0.72006400  0.11488800  0.54501600  1
  O  O25  1  0.01898900  0.59599000  0.58780200  1
  O  O26  1  0.40479800  0.00133200  0.17087200  1
  O  O27  1  0.73830600  0.64984800  0.44077000  1
  O  O28  1  0.39737400  0.98017700  0.66704700  1
  O  O29  1  0.78962800  0.73352500  0.92865200  1
  O  O30  1  0.68626500  0.75384600  0.18097700  1
  O  O31  1  0.71196200  0.77673300  0.69103900  1
  O  O32  1  0.30566500  0.24010000  0.30172400  1
  O  O33  1  0.34903500  0.25497200  0.81684900  1
  O  O34  1  0.26013200  0.34977000  0.07037600  1
  O  O35  1  0.58601000  0.01379700  0.33666100  1
  O  O36  1  0.23017700  0.29409900  0.55791500  1
  O  O37  1  0.58191900  0.96947400  0.83670400  1
  O  O38  1  0.02901200  0.41518100  0.42292800  1
  O  O39  1  0.97530400  0.40461100  0.91850700  1
  O  O40  1  0.25314900  0.90755000  0.46399800  1
  O  O41  1  0.28054100  0.88143300  0.96260800  1
  O  O42  1  0.11867100  0.73141400  0.28484900  1
  O  O43  1  0.09152800  0.74092400  0.79224400  1
