# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25296400
_cell_length_b   9.16179068
_cell_length_c   11.36810518
_cell_angle_alpha   112.57722953
_cell_angle_beta   103.12564773
_cell_angle_gamma   89.45420602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   490.14279347
_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  0.02601400  0.03185800  0.40506500  1
  Li  Li1  1  0.28788600  0.27857100  0.90391900  1
  Li  Li2  1  0.49425300  0.51136000  0.66230500  1
  Li  Li3  1  0.26290000  0.24918500  0.16257200  1
  Fe  Fe4  1  0.01910200  0.35681900  0.38125000  1
  Fe  Fe5  1  0.24692900  0.93227600  0.87718300  1
  Fe  Fe6  1  0.49364200  0.14600100  0.62946000  1
  Fe  Fe7  1  0.23701400  0.57473700  0.13372100  1
  Fe  Fe8  1  0.76952700  0.44574500  0.88418100  1
  Fe  Fe9  1  0.53301300  0.84131500  0.37920100  1
  Fe  Fe10  1  0.97797900  0.65800300  0.62851900  1
  Fe  Fe11  1  0.73396700  0.05942200  0.12585600  1
  B  B12  1  0.02887600  0.69212800  0.37931100  1
  B  B13  1  0.26081800  0.59736600  0.86994100  1
  B  B14  1  0.47355000  0.81340800  0.63068000  1
  B  B15  1  0.23641900  0.90190200  0.13326200  1
  B  B16  1  0.51643900  0.17734200  0.37349100  1
  B  B17  1  0.76725900  0.11259300  0.88286500  1
  B  B18  1  0.98498400  0.31865300  0.62481200  1
  B  B19  1  0.73398900  0.38978400  0.12516000  1
  O  O20  1  0.03060500  0.11863400  0.89025800  1
  O  O21  1  0.09883100  0.69971500  0.82980100  1
  O  O22  1  0.16637000  0.50521900  0.92959800  1
  O  O23  1  0.13318600  0.19298800  0.62097900  1
  O  O24  1  0.07967400  0.43793200  0.59320300  1
  O  O25  1  0.24174800  0.82815100  0.67180700  1
  O  O26  1  0.24534000  0.65441700  0.32271300  1
  O  O27  1  0.50248800  0.57755700  0.84530600  1
  O  O28  1  0.60381600  0.20800900  0.82878500  1
  O  O29  1  0.43187200  0.07834100  0.42911600  1
  O  O30  1  0.36540400  0.29005700  0.35155200  1
  O  O31  1  0.64623800  0.02243300  0.93243700  1
  O  O32  1  0.35965900  0.00591500  0.09470200  1
  O  O33  1  0.61817100  0.68682400  0.62852300  1
  O  O34  1  0.55424100  0.92502600  0.58858400  1
  O  O35  1  0.37481900  0.78513400  0.16231700  1
  O  O36  1  0.46492800  0.39434000  0.11428000  1
  O  O37  1  0.74181200  0.32866600  0.65690500  1
  O  O38  1  0.75704900  0.15285400  0.33683600  1
  O  O39  1  0.94983900  0.59144500  0.43281600  1
  O  O40  1  0.90811700  0.82590600  0.38464600  1
  O  O41  1  0.87013500  0.48677100  0.08826900  1
  O  O42  1  0.87190700  0.27959300  0.16703100  1
  O  O43  1  0.98486100  0.92127600  0.14526200  1
