# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28539800
_cell_length_b   9.06381738
_cell_length_c   11.34069196
_cell_angle_alpha   113.46400371
_cell_angle_beta   102.02888251
_cell_angle_gamma   90.26285630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.09172727
_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  0.38983000  0.04342000  0.09182900  1
  Li  Li1  1  0.06720100  0.40016100  0.83055900  1
  Li  Li2  1  0.88869200  0.55018600  0.10063700  1
  Li  Li3  1  0.33505000  0.68550000  0.35917500  1
  Fe  Fe4  1  0.59180700  0.60820400  0.86903300  1
  Fe  Fe5  1  0.89507200  0.90837200  0.12609500  1
  Fe  Fe6  1  0.15727900  0.47231800  0.61708400  1
  Fe  Fe7  1  0.35167200  0.02558100  0.37142100  1
  Fe  Fe8  1  0.65187000  0.98173400  0.62764300  1
  Fe  Fe9  1  0.84625900  0.51302400  0.37142000  1
  Fe  Fe10  1  0.09852400  0.08204000  0.86512500  1
  Fe  Fe11  1  0.40252300  0.39558000  0.11505900  1
  B  B12  1  0.35031400  0.35486100  0.36593500  1
  B  B13  1  0.11028600  0.76069600  0.88242600  1
  B  B14  1  0.85410600  0.84992600  0.37002500  1
  B  B15  1  0.59470100  0.27671000  0.86815000  1
  B  B16  1  0.14561500  0.13394300  0.61948700  1
  B  B17  1  0.39826300  0.73352600  0.12894000  1
  B  B18  1  0.65010100  0.64793800  0.62010600  1
  B  B19  1  0.89980700  0.22983000  0.12247200  1
  O  O20  1  0.87601800  0.76897800  0.92137600  1
  O  O21  1  0.54841700  0.55877800  0.67875000  1
  O  O22  1  0.75173200  0.10545100  0.12033100  1
  O  O23  1  0.45216100  0.21479700  0.35577700  1
  O  O24  1  0.12615200  0.39431100  0.41133700  1
  O  O25  1  0.21082800  0.60937800  0.84119700  1
  O  O26  1  0.73801500  0.41814700  0.88820300  1
  O  O27  1  0.98034800  0.95742200  0.33721300  1
  O  O28  1  0.31091600  0.88836900  0.16912700  1
  O  O29  1  0.36880100  0.09190700  0.56678400  1
  O  O30  1  0.06283900  0.28135400  0.64491700  1
  O  O31  1  0.62313900  0.70798300  0.07992300  1
  O  O32  1  0.35582300  0.28598900  0.90274000  1
  O  O33  1  0.61433400  0.88011900  0.40663000  1
  O  O34  1  0.70356400  0.13151000  0.81917900  1
  O  O35  1  0.02334400  0.01957000  0.64835600  1
  O  O36  1  0.26513300  0.61092100  0.14065200  1
  O  O37  1  0.81115100  0.38664600  0.16558500  1
  O  O38  1  0.86256700  0.59743600  0.56549900  1
  O  O39  1  0.53094700  0.77764200  0.61023600  1
  O  O40  1  0.95807200  0.70731700  0.35844600  1
  O  O41  1  0.24313800  0.89550200  0.89333100  1
  O  O42  1  0.46755200  0.46709300  0.33114700  1
  O  O43  1  0.13394600  0.20933400  0.08215800  1
