# generated using pymatgen
data_Li3Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03910200
_cell_length_b   6.42756947
_cell_length_c   8.04677203
_cell_angle_alpha   73.88062574
_cell_angle_beta   89.32852913
_cell_angle_gamma   89.32165937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO3)2
_chemical_formula_sum   'Li6 Fe2 B4 O12'
_cell_volume   250.35462210
_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  0.17495700  0.76218200  0.88771500  1
  Li  Li1  1  0.82448300  0.53570300  0.76339300  1
  Li  Li2  1  0.32303500  0.59694700  0.57582800  1
  Li  Li3  1  0.17298700  0.47939900  0.24453300  1
  Li  Li4  1  0.67712200  0.40330800  0.43034300  1
  Li  Li5  1  0.83333400  0.23997700  0.11692300  1
  Fe  Fe6  1  0.35221600  0.94555600  0.22899300  1
  Fe  Fe7  1  0.65339100  0.05440200  0.77537700  1
  B  B8  1  0.83580900  0.81875400  0.41553100  1
  B  B9  1  0.66630900  0.66722400  0.07374900  1
  B  B10  1  0.33895500  0.33172900  0.92882500  1
  B  B11  1  0.16698400  0.18167100  0.58930300  1
  O  O12  1  0.78238200  0.77815700  0.91390400  1
  O  O13  1  0.11416300  0.81899200  0.40852400  1
  O  O14  1  0.70205800  0.66282200  0.53375500  1
  O  O15  1  0.40087600  0.72709600  0.10408300  1
  O  O16  1  0.21037900  0.49747900  0.81736600  1
  O  O17  1  0.60609800  0.27326900  0.89972300  1
  O  O18  1  0.79702800  0.50531700  0.18797000  1
  O  O19  1  0.30023400  0.33928400  0.47156800  1
  O  O20  1  0.88895600  0.17706100  0.59352800  1
  O  O21  1  0.29771000  0.02037600  0.71759800  1
  O  O22  1  0.21895400  0.21498000  0.08532500  1
  O  O23  1  0.70592000  0.98217900  0.28820100  1
