# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22171900
_cell_length_b   5.25295269
_cell_length_c   20.13568067
_cell_angle_alpha   90.40468353
_cell_angle_beta   90.16342781
_cell_angle_gamma   118.81624134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   483.89352999
_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  0.67229900  0.65411600  0.32246000  1
  Li  Li1  1  0.34245000  0.34884900  0.45354800  1
  Fe  Fe2  1  0.00467700  0.67408500  0.18936700  1
  Fe  Fe3  1  0.00042400  0.67352500  0.68989900  1
  Fe  Fe4  1  0.32632800  0.99778400  0.06398600  1
  Fe  Fe5  1  0.32548800  0.99205100  0.56480100  1
  Fe  Fe6  1  0.68147200  0.00655300  0.43871300  1
  Fe  Fe7  1  0.67620300  0.00677600  0.93869400  1
  Fe  Fe8  1  0.00840700  0.32137700  0.31207500  1
  Fe  Fe9  1  0.99574100  0.32674500  0.81451000  1
  B  B10  1  0.99878200  0.34336900  0.06354100  1
  B  B11  1  0.99817100  0.33388600  0.56351600  1
  B  B12  1  0.66657700  0.00474800  0.18893100  1
  B  B13  1  0.65820000  0.00504400  0.68890900  1
  B  B14  1  0.34483800  0.99970500  0.31435100  1
  B  B15  1  0.33713500  0.99625400  0.81404300  1
  B  B16  1  0.00270500  0.66433000  0.43876200  1
  B  B17  1  0.00490900  0.66462600  0.93825500  1
  O  O18  1  0.88631600  0.27482000  0.20879800  1
  O  O19  1  0.87275600  0.26979400  0.71558800  1
  O  O20  1  0.73236400  0.12922400  0.03657000  1
  O  O21  1  0.00977300  0.60104000  0.08635600  1
  O  O22  1  0.72760200  0.11139500  0.54461100  1
  O  O23  1  0.02014700  0.59405800  0.58826900  1
  O  O24  1  0.40288400  0.98096100  0.16463700  1
  O  O25  1  0.73973800  0.66002400  0.43050400  1
  O  O26  1  0.39767300  0.99289900  0.66618100  1
  O  O27  1  0.77145600  0.70873700  0.93563400  1
  O  O28  1  0.69872000  0.76377700  0.19452500  1
  O  O29  1  0.70286300  0.77255200  0.68569800  1
  O  O30  1  0.35005500  0.26121700  0.31863600  1
  O  O31  1  0.29334900  0.22886900  0.81571400  1
  O  O32  1  0.23126300  0.29695700  0.06622000  1
  O  O33  1  0.59037900  0.97828000  0.33273600  1
  O  O34  1  0.24392300  0.30603400  0.55556400  1
  O  O35  1  0.59543000  0.01006900  0.83808000  1
  O  O36  1  0.02856700  0.42111700  0.42267300  1
  O  O37  1  0.99087900  0.40699600  0.91397600  1
  O  O38  1  0.25117300  0.91622500  0.46288700  1
  O  O39  1  0.27097800  0.87587900  0.96508700  1
  O  O40  1  0.09061300  0.74787000  0.29218500  1
  O  O41  1  0.12394100  0.72997600  0.78747700  1
