# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27598900
_cell_length_b   9.04774016
_cell_length_c   10.17428047
_cell_angle_alpha   90.10737008
_cell_angle_beta   91.05752491
_cell_angle_gamma   90.40956482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.58107970
_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  0.18626300  0.83566400  0.84347700  1
  Li  Li1  1  0.33462400  0.67230400  0.12166800  1
  Li  Li2  1  0.65443900  0.32164900  0.33850300  1
  Li  Li3  1  0.69193600  0.33281000  0.83007800  1
  Fe  Fe4  1  0.14741800  0.15205800  0.36881700  1
  Fe  Fe5  1  0.18505000  0.50302800  0.86982700  1
  Fe  Fe6  1  0.32419600  0.01122200  0.11974400  1
  Fe  Fe7  1  0.31853000  0.33601400  0.61813100  1
  Fe  Fe8  1  0.67978900  0.66566900  0.36819200  1
  Fe  Fe9  1  0.68769100  0.00562200  0.87577800  1
  Fe  Fe10  1  0.82025000  0.84077200  0.62249800  1
  Fe  Fe11  1  0.82958100  0.49245800  0.11360000  1
  B  B12  1  0.17929000  0.49708400  0.37008500  1
  B  B13  1  0.17551200  0.16996400  0.86983400  1
  B  B14  1  0.33002600  0.00342500  0.62836500  1
  B  B15  1  0.32784400  0.33763100  0.12684300  1
  B  B16  1  0.64708500  0.00195300  0.36958200  1
  B  B17  1  0.67278400  0.66534400  0.87128700  1
  B  B18  1  0.83011700  0.50451000  0.62004100  1
  B  B19  1  0.82875300  0.83503400  0.12178500  1
  O  O20  1  0.08252800  0.49233900  0.65797100  1
  O  O21  1  0.08801400  0.84267100  0.11203900  1
  O  O22  1  0.19103000  0.20740900  0.15383900  1
  O  O23  1  0.24556000  0.13306100  0.57287400  1
  O  O24  1  0.16720000  0.88761000  0.65067600  1
  O  O25  1  0.20293500  0.46271400  0.07948800  1
  O  O26  1  0.32981100  0.61678800  0.34256000  1
  O  O27  1  0.30265100  0.04352400  0.91673800  1
  O  O28  1  0.28957800  0.36707000  0.41830000  1
  O  O29  1  0.32308400  0.28894700  0.82287900  1
  O  O30  1  0.41642500  0.67868200  0.88942000  1
  O  O31  1  0.40538700  0.99413000  0.31292900  1
  O  O32  1  0.58241200  0.99069200  0.66768900  1
  O  O33  1  0.58108600  0.34001700  0.15145200  1
  O  O34  1  0.71320400  0.70592800  0.17151600  1
  O  O35  1  0.74256200  0.63766900  0.56621400  1
  O  O36  1  0.66598600  0.39019200  0.63989600  1
  O  O37  1  0.67210800  0.94651600  0.07763700  1
  O  O38  1  0.79665300  0.53439800  0.90302900  1
  O  O39  1  0.78002100  0.12967500  0.37663600  1
  O  O40  1  0.75087200  0.87043700  0.42279600  1
  O  O41  1  0.81575700  0.78574200  0.82413600  1
  O  O42  1  0.91992300  0.17701500  0.86746400  1
  O  O43  1  0.91686200  0.49729500  0.34480900  1
