# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24665400
_cell_length_b   9.11349206
_cell_length_c   11.33475630
_cell_angle_alpha   112.81581019
_cell_angle_beta   103.08971721
_cell_angle_gamma   89.36196520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.81030959
_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  0.28533600  0.27701900  0.90036800  1
  Li  Li1  1  0.47216000  0.48908900  0.63368900  1
  Li  Li2  1  0.78226200  0.78004500  0.90516300  1
  Li  Li3  1  0.77148800  0.75257100  0.16584700  1
  Fe  Fe4  1  0.01560200  0.35529900  0.37496100  1
  Fe  Fe5  1  0.26784300  0.93459200  0.87974600  1
  Fe  Fe6  1  0.48789600  0.14612800  0.62936500  1
  Fe  Fe7  1  0.25079100  0.55336200  0.13343800  1
  Fe  Fe8  1  0.76226600  0.44086100  0.88223200  1
  Fe  Fe9  1  0.51064500  0.84875700  0.37996000  1
  Fe  Fe10  1  0.96513400  0.66134600  0.62666700  1
  Fe  Fe11  1  0.74905700  0.07670900  0.13399200  1
  B  B12  1  0.01784700  0.68326000  0.37535200  1
  B  B13  1  0.26387300  0.60482500  0.87414700  1
  B  B14  1  0.46627200  0.81489300  0.63402800  1
  B  B15  1  0.23563100  0.88806500  0.12173100  1
  B  B16  1  0.52902300  0.19262900  0.38702500  1
  B  B17  1  0.77165600  0.09876400  0.87435800  1
  B  B18  1  0.98892400  0.31962000  0.63141700  1
  B  B19  1  0.73467100  0.40061000  0.12593100  1
  O  O20  1  0.03408600  0.09868700  0.87885900  1
  O  O21  1  0.10596900  0.72013600  0.84678300  1
  O  O22  1  0.15876300  0.49630900  0.91167500  1
  O  O23  1  0.15204200  0.20831600  0.65040400  1
  O  O24  1  0.07172000  0.42883100  0.58672800  1
  O  O25  1  0.24587800  0.84734600  0.68584100  1
  O  O26  1  0.25822600  0.67659400  0.34254300  1
  O  O27  1  0.52037600  0.60503500  0.86255500  1
  O  O28  1  0.61800300  0.20363400  0.83148300  1
  O  O29  1  0.46344800  0.07603000  0.43145400  1
  O  O30  1  0.37156100  0.31323000  0.39344900  1
  O  O31  1  0.65165800  0.99580000  0.91423700  1
  O  O32  1  0.35893700  0.97812100  0.07256900  1
  O  O33  1  0.60063100  0.68813200  0.63661500  1
  O  O34  1  0.54513000  0.91857400  0.58091200  1
  O  O35  1  0.39385100  0.79566100  0.17862600  1
  O  O36  1  0.46825500  0.37440900  0.09655800  1
  O  O37  1  0.73843400  0.32822300  0.65981000  1
  O  O38  1  0.75673300  0.18183600  0.34246900  1
  O  O39  1  0.94964500  0.57724100  0.42483900  1
  O  O40  1  0.84905200  0.79222000  0.35576600  1
  O  O41  1  0.84835800  0.51505500  0.09399200  1
  O  O42  1  0.89555700  0.30781100  0.18056800  1
  O  O43  1  0.96786000  0.88436700  0.11033600  1
