# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27178400
_cell_length_b   9.12471073
_cell_length_c   10.11996353
_cell_angle_alpha   89.60197610
_cell_angle_beta   89.03644784
_cell_angle_gamma   89.52411994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.70880047
_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  0.18533800  0.16413600  0.14315000  1
  Li  Li1  1  0.31881900  0.32940900  0.41395200  1
  Li  Li2  1  0.65848100  0.67895900  0.66619400  1
  Li  Li3  1  0.68906300  0.66733500  0.16329700  1
  Fe  Fe4  1  0.15203700  0.85046400  0.62997200  1
  Fe  Fe5  1  0.18507800  0.49679000  0.12523500  1
  Fe  Fe6  1  0.33001000  0.99841700  0.87488100  1
  Fe  Fe7  1  0.32047500  0.66983900  0.38091000  1
  Fe  Fe8  1  0.66100600  0.33365400  0.63655100  1
  Fe  Fe9  1  0.68781300  0.99459700  0.12315300  1
  Fe  Fe10  1  0.82702100  0.15373600  0.38168700  1
  Fe  Fe11  1  0.83416900  0.49207900  0.87984700  1
  B  B12  1  0.16894500  0.50575300  0.62233300  1
  B  B13  1  0.17243400  0.83169200  0.13056000  1
  B  B14  1  0.33580700  0.00143600  0.37231600  1
  B  B15  1  0.32440200  0.66462900  0.87466500  1
  B  B16  1  0.65695300  0.99735600  0.62756200  1
  B  B17  1  0.67468500  0.33186500  0.13301700  1
  B  B18  1  0.82521700  0.49127700  0.37544100  1
  B  B19  1  0.83194200  0.16439200  0.88318400  1
  O  O20  1  0.08741500  0.50071700  0.34989900  1
  O  O21  1  0.08747200  0.14939600  0.89194200  1
  O  O22  1  0.21874800  0.79858000  0.84205900  1
  O  O23  1  0.23302200  0.87196500  0.41826200  1
  O  O24  1  0.18867600  0.12770800  0.36138400  1
  O  O25  1  0.17141400  0.55274600  0.92349400  1
  O  O26  1  0.29667600  0.37741300  0.60743300  1
  O  O27  1  0.30088500  0.95708200  0.08798900  1
  O  O28  1  0.28861900  0.63845100  0.58176400  1
  O  O29  1  0.31609300  0.70940100  0.17735600  1
  O  O30  1  0.41665400  0.32725400  0.14309800  1
  O  O31  1  0.41062900  0.00898500  0.67916700  1
  O  O32  1  0.58858500  0.00648900  0.33340600  1
  O  O33  1  0.58045500  0.63924400  0.85713600  1
  O  O34  1  0.72430000  0.29702800  0.84102100  1
  O  O35  1  0.72155000  0.35782100  0.41489400  1
  O  O36  1  0.67007100  0.61086600  0.35753400  1
  O  O37  1  0.67107600  0.05192900  0.92171700  1
  O  O38  1  0.79641700  0.46018900  0.08563300  1
  O  O39  1  0.78304500  0.86713400  0.62727000  1
  O  O40  1  0.76746200  0.12443700  0.57376400  1
  O  O41  1  0.82338100  0.21142600  0.17248100  1
  O  O42  1  0.91596100  0.82317300  0.13049900  1
  O  O43  1  0.91764700  0.51364000  0.67176200  1
