# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07275600
_cell_length_b   5.26593600
_cell_length_c   10.21963558
_cell_angle_alpha   88.67427247
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   488.12825862
_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  0.99568700  0.35531800  0.08515700  1
  Li  Li1  1  0.51380500  0.14717400  0.33347200  1
  Li  Li2  1  0.48619500  0.14717400  0.83347200  1
  Li  Li3  1  0.00431300  0.35531800  0.58515700  1
  Fe  Fe4  1  0.82561000  0.83931700  0.12641200  1
  Fe  Fe5  1  0.84791700  0.15756900  0.37219000  1
  Fe  Fe6  1  0.67557600  0.65923600  0.86485400  1
  Fe  Fe7  1  0.65732700  0.34441100  0.61523400  1
  Fe  Fe8  1  0.32442400  0.65923600  0.36485400  1
  Fe  Fe9  1  0.17439000  0.83931700  0.62641200  1
  Fe  Fe10  1  0.34267300  0.34441100  0.11523400  1
  Fe  Fe11  1  0.15208300  0.15756900  0.87219000  1
  B  B12  1  0.84510800  0.84669900  0.62736900  1
  B  B13  1  0.65489800  0.65504500  0.36456900  1
  B  B14  1  0.81975400  0.17390000  0.87956200  1
  B  B15  1  0.67926200  0.33254000  0.12309300  1
  B  B16  1  0.34510200  0.65504500  0.86456900  1
  B  B17  1  0.32073800  0.33254000  0.62309300  1
  B  B18  1  0.15489200  0.84669900  0.12736900  1
  B  B19  1  0.18024600  0.17390000  0.37956200  1
  O  O20  1  0.97758300  0.71613300  0.62162200  1
  O  O21  1  0.80762500  0.92239000  0.92494200  1
  O  O22  1  0.95072300  0.29837400  0.88588500  1
  O  O23  1  0.77745600  0.79304400  0.31859200  1
  O  O24  1  0.72195400  0.71235100  0.67314000  1
  O  O25  1  0.81293000  0.20722000  0.15656300  1
  O  O26  1  0.83630300  0.10071500  0.58739600  1
  O  O27  1  0.69362800  0.57526700  0.06667500  1
  O  O28  1  0.52194300  0.78117700  0.36852700  1
  O  O29  1  0.66643000  0.40057400  0.40440400  1
  O  O30  1  0.68898800  0.29192800  0.83614400  1
  O  O31  1  0.47805700  0.78117700  0.86852700  1
  O  O32  1  0.54717100  0.22319000  0.14496000  1
  O  O33  1  0.27804600  0.71235100  0.17314000  1
  O  O34  1  0.30637200  0.57526700  0.56667500  1
  O  O35  1  0.45282900  0.22319000  0.64496000  1
  O  O36  1  0.33357000  0.40057400  0.90440400  1
  O  O37  1  0.19237500  0.92239000  0.42494200  1
  O  O38  1  0.22254400  0.79304400  0.81859200  1
  O  O39  1  0.31101200  0.29192800  0.33614400  1
  O  O40  1  0.18707000  0.20722000  0.65656300  1
  O  O41  1  0.02241700  0.71613300  0.12162200  1
  O  O42  1  0.16369700  0.10071500  0.08739600  1
  O  O43  1  0.04927700  0.29837400  0.38588500  1
