# generated using pymatgen
data_Li3Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37590700
_cell_length_b   8.17763700
_cell_length_c   9.82683781
_cell_angle_alpha   63.18306379
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO3)2
_chemical_formula_sum   'Li12 Fe4 B8 O24'
_cell_volume   457.26578078
_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  0.25338600  0.42407000  0.98224900  1
  Li  Li1  1  0.94973500  0.27031300  0.17755600  1
  Li  Li2  1  0.75338600  0.57593000  0.51775100  1
  Li  Li3  1  0.72275000  0.16293500  0.03428000  1
  Li  Li4  1  0.55026500  0.27031300  0.67755600  1
  Li  Li5  1  0.22275000  0.83706500  0.46572000  1
  Li  Li6  1  0.77725000  0.16293500  0.53428000  1
  Li  Li7  1  0.44973500  0.72968700  0.32244400  1
  Li  Li8  1  0.27725000  0.83706500  0.96572000  1
  Li  Li9  1  0.24661400  0.42407000  0.48224900  1
  Li  Li10  1  0.05026500  0.72968700  0.82244400  1
  Li  Li11  1  0.74661400  0.57593000  0.01775100  1
  Fe  Fe12  1  0.45848300  0.18275700  0.31990300  1
  Fe  Fe13  1  0.04151700  0.18275700  0.81990300  1
  Fe  Fe14  1  0.95848300  0.81724300  0.18009700  1
  Fe  Fe15  1  0.54151700  0.81724300  0.68009700  1
  B  B16  1  0.34175800  0.53845800  0.68652600  1
  B  B17  1  0.84175800  0.46154200  0.81347400  1
  B  B18  1  0.83255500  0.92628100  0.38418600  1
  B  B19  1  0.33255500  0.07371900  0.11581400  1
  B  B20  1  0.66744500  0.92628100  0.88418600  1
  B  B21  1  0.16744500  0.07371900  0.61581400  1
  B  B22  1  0.15824200  0.53845800  0.18652600  1
  B  B23  1  0.65824200  0.46154200  0.31347400  1
  O  O24  1  0.78107100  0.63715100  0.78251400  1
  O  O25  1  0.30596300  0.62310700  0.77919400  1
  O  O26  1  0.45312800  0.64783600  0.55369600  1
  O  O27  1  0.95312800  0.35216400  0.94630400  1
  O  O28  1  0.80596300  0.37689300  0.72080600  1
  O  O29  1  0.69539300  0.99138300  0.45976600  1
  O  O30  1  0.44787300  0.22923900  0.04785400  1
  O  O31  1  0.28107100  0.36284900  0.71748600  1
  O  O32  1  0.85204500  0.02231800  0.22606100  1
  O  O33  1  0.35204500  0.97768200  0.27393900  1
  O  O34  1  0.94787300  0.77076100  0.45214600  1
  O  O35  1  0.19539300  0.00861700  0.04023400  1
  O  O36  1  0.80460700  0.99138300  0.95976600  1
  O  O37  1  0.05212700  0.22923900  0.54785400  1
  O  O38  1  0.64795500  0.02231800  0.72606100  1
  O  O39  1  0.14795500  0.97768200  0.77393900  1
  O  O40  1  0.71892900  0.63715100  0.28251400  1
  O  O41  1  0.55212700  0.77076100  0.95214600  1
  O  O42  1  0.30460700  0.00861700  0.54023400  1
  O  O43  1  0.19403700  0.62310700  0.27919400  1
  O  O44  1  0.04687200  0.64783600  0.05369600  1
  O  O45  1  0.54687200  0.35216400  0.44630400  1
  O  O46  1  0.69403700  0.37689300  0.22080600  1
  O  O47  1  0.21892900  0.36284900  0.21748600  1
