# generated using pymatgen
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30174886
_cell_length_b   8.19861247
_cell_length_c   8.78650536
_cell_angle_alpha   62.07418447
_cell_angle_beta   68.94574707
_cell_angle_gamma   89.76279365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBO3
_chemical_formula_sum   'Li6 Fe6 B6 O18'
_cell_volume   366.83315032
_cell_formula_units_Z   6
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  0.90153700  0.28120000  0.70230500  1
  Li  Li1  1  0.39748400  0.28170700  0.70160900  1
  Li  Li2  1  0.10966300  0.01625300  0.28118300  1
  Li  Li3  1  0.60865100  0.01645500  0.28159300  1
  Li  Li4  1  0.23884500  0.70164000  0.01692400  1
  Li  Li5  1  0.74423500  0.70268400  0.01618000  1
  Fe  Fe6  1  0.50595000  0.37632400  0.98974300  1
  Fe  Fe7  1  0.80885800  0.63158500  0.38231800  1
  Fe  Fe8  1  0.18147400  0.98979500  0.63425200  1
  Fe  Fe9  1  0.00398400  0.36879600  0.99272300  1
  Fe  Fe10  1  0.31534800  0.63816800  0.36891400  1
  Fe  Fe11  1  0.68059500  0.99281000  0.63730100  1
  B  B12  1  0.08438800  0.33320200  0.33324700  1
  B  B13  1  0.58384200  0.33433100  0.33236400  1
  B  B14  1  0.99981600  0.99748200  0.00116600  1
  B  B15  1  0.50029400  0.00139500  0.99932200  1
  B  B16  1  0.41571200  0.66696900  0.66677000  1
  B  B17  1  0.91650800  0.66648500  0.66660800  1
  O  O18  1  0.59948600  0.11009800  0.80363100  1
  O  O19  1  0.09985200  0.10737700  0.80547600  1
  O  O20  1  0.94490300  0.08567000  0.10941300  1
  O  O21  1  0.44516400  0.08780100  0.10793100  1
  O  O22  1  0.95543500  0.80253100  0.08821600  1
  O  O23  1  0.45653100  0.80567100  0.08540600  1
  O  O24  1  0.03178600  0.13752900  0.44053700  1
  O  O25  1  0.53206100  0.13932200  0.43914000  1
  O  O26  1  0.04078400  0.43989600  0.42182500  1
  O  O27  1  0.53925900  0.44125200  0.42083500  1
  O  O28  1  0.17981900  0.42137700  0.13829400  1
  O  O29  1  0.68023200  0.42289700  0.13687400  1
  O  O30  1  0.35893300  0.47184700  0.78251000  1
  O  O31  1  0.86078500  0.47140900  0.78193400  1
  O  O32  1  0.37516100  0.78328800  0.74552500  1
  O  O33  1  0.87439700  0.78229900  0.74563800  1
  O  O34  1  0.51392200  0.74629800  0.47134300  1
  O  O35  1  0.01430300  0.74615900  0.47095300  1
