# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23957600
_cell_length_b   9.16961223
_cell_length_c   10.18843605
_cell_angle_alpha   88.76667595
_cell_angle_beta   89.45730238
_cell_angle_gamma   89.51447159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   489.35009059
_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  0.15797000  0.16754300  0.64262800  1
  Li  Li1  1  0.33011100  0.31798500  0.90902500  1
  Li  Li2  1  0.65514600  0.67983100  0.65405700  1
  Li  Li3  1  0.83922300  0.83372900  0.36143500  1
  Fe  Fe4  1  0.15197900  0.83858700  0.62981100  1
  Fe  Fe5  1  0.17896800  0.49765500  0.13698300  1
  Fe  Fe6  1  0.32342100  0.98846900  0.88181100  1
  Fe  Fe7  1  0.33168800  0.65776800  0.37730100  1
  Fe  Fe8  1  0.66546700  0.33864600  0.62585600  1
  Fe  Fe9  1  0.66812700  0.00926900  0.12867200  1
  Fe  Fe10  1  0.83687500  0.16877700  0.37381500  1
  Fe  Fe11  1  0.82884400  0.49612600  0.88800300  1
  B  B12  1  0.16897800  0.49809300  0.63053600  1
  B  B13  1  0.17604100  0.83721800  0.14256100  1
  B  B14  1  0.33182500  0.99289500  0.38125400  1
  B  B15  1  0.32563300  0.65778600  0.86654400  1
  B  B16  1  0.65264300  0.00509400  0.62731800  1
  B  B17  1  0.66064900  0.32848000  0.11773400  1
  B  B18  1  0.83501900  0.50599000  0.39094100  1
  B  B19  1  0.83560200  0.17225500  0.87635800  1
  O  O20  1  0.08754200  0.50406800  0.34986300  1
  O  O21  1  0.09189300  0.16815000  0.85693500  1
  O  O22  1  0.20595800  0.78576800  0.83476800  1
  O  O23  1  0.22231900  0.85519700  0.41807400  1
  O  O24  1  0.19534800  0.11512300  0.39749600  1
  O  O25  1  0.18741900  0.53561200  0.91090600  1
  O  O26  1  0.30253300  0.36832000  0.64434500  1
  O  O27  1  0.32902600  0.94357000  0.08550200  1
  O  O28  1  0.28873800  0.62462800  0.58753800  1
  O  O29  1  0.28702200  0.70485700  0.18404900  1
  O  O30  1  0.40704400  0.33453700  0.09744700  1
  O  O31  1  0.40037800  0.00911400  0.66591300  1
  O  O32  1  0.58444400  0.99082400  0.33413400  1
  O  O33  1  0.58681700  0.64210000  0.84828700  1
  O  O34  1  0.69616200  0.30366000  0.83335500  1
  O  O35  1  0.72520400  0.37674800  0.43623800  1
  O  O36  1  0.69697500  0.63487200  0.38882000  1
  O  O37  1  0.69042100  0.06306800  0.93331500  1
  O  O38  1  0.81711200  0.44493000  0.07635200  1
  O  O39  1  0.78186400  0.87503900  0.61273900  1
  O  O40  1  0.78034000  0.13880300  0.59956200  1
  O  O41  1  0.78005300  0.20539300  0.17151600  1
  O  O42  1  0.92060600  0.86087900  0.16354300  1
  O  O43  1  0.90753700  0.50212800  0.66514300  1
