# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23888300
_cell_length_b   5.26686466
_cell_length_c   20.11006106
_cell_angle_alpha   90.48053589
_cell_angle_beta   90.06612216
_cell_angle_gamma   118.94263117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   485.55818801
_cell_formula_units_Z   2
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  0.66485400  0.64246600  0.82864000  1
  Li  Li1  1  0.34471200  0.34554100  0.45008800  1
  Fe  Fe2  1  0.00545300  0.67548400  0.18925100  1
  Fe  Fe3  1  0.99881100  0.67242200  0.68986500  1
  Fe  Fe4  1  0.32821400  0.99703700  0.06506200  1
  Fe  Fe5  1  0.32473900  0.99398900  0.56426700  1
  Fe  Fe6  1  0.68331200  0.99692300  0.43846900  1
  Fe  Fe7  1  0.67827200  0.01880000  0.93852700  1
  Fe  Fe8  1  0.99432100  0.33184800  0.31508800  1
  Fe  Fe9  1  0.00588300  0.31424900  0.81187700  1
  B  B10  1  0.00050200  0.33959900  0.06417200  1
  B  B11  1  0.99763700  0.33784700  0.56315700  1
  B  B12  1  0.66620700  0.00691900  0.18865800  1
  B  B13  1  0.65863000  0.00350000  0.68817800  1
  B  B14  1  0.33964400  0.99962900  0.31414500  1
  B  B15  1  0.33628100  0.99477400  0.81395900  1
  B  B16  1  0.00162400  0.66492500  0.43991600  1
  B  B17  1  0.01051100  0.66946600  0.93752500  1
  O  O18  1  0.88055600  0.27385200  0.21435100  1
  O  O19  1  0.87993600  0.27172200  0.70985000  1
  O  O20  1  0.73325500  0.12353800  0.03795200  1
  O  O21  1  0.01229500  0.59679200  0.08767500  1
  O  O22  1  0.72656600  0.11614200  0.54342700  1
  O  O23  1  0.01970100  0.59836300  0.58700400  1
  O  O24  1  0.40612700  0.99112000  0.16473600  1
  O  O25  1  0.73759000  0.65261500  0.43976300  1
  O  O26  1  0.39460100  0.98506800  0.66638100  1
  O  O27  1  0.78621200  0.72653500  0.92660100  1
  O  O28  1  0.70825200  0.77324200  0.18669700  1
  O  O29  1  0.69426400  0.76395900  0.69065800  1
  O  O30  1  0.28538500  0.22524600  0.32162300  1
  O  O31  1  0.34996100  0.25815300  0.81511100  1
  O  O32  1  0.23482500  0.29681100  0.06607700  1
  O  O33  1  0.60436700  0.02435400  0.33449400  1
  O  O34  1  0.24020900  0.30499100  0.55518200  1
  O  O35  1  0.57515500  0.96587000  0.83724600  1
  O  O36  1  0.03237400  0.42673400  0.41711600  1
  O  O37  1  0.98357400  0.40495000  0.91728600  1
  O  O38  1  0.25600200  0.91274500  0.46272900  1
  O  O39  1  0.27284200  0.87825000  0.96600600  1
  O  O40  1  0.12777900  0.73315800  0.28725600  1
  O  O41  1  0.08621200  0.74296000  0.79090200  1
