# generated using pymatgen
data_Li6Fe2B4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49151271
_cell_length_b   9.49151271
_cell_length_c   9.49151271
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe2B4SO16
_chemical_formula_sum   'Li12 Fe4 B8 S2 O32'
_cell_volume   604.63224295
_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  0.28055000  0.28055000  0.71945000  1.0
  Li  Li1  1  0.96945000  0.53055000  0.53055000  1.0
  Li  Li2  1  0.28055000  0.71945000  0.28055000  1.0
  Li  Li3  1  0.71945000  0.28055000  0.71945000  1.0
  Li  Li4  1  0.53055000  0.96945000  0.96945000  1.0
  Li  Li5  1  0.53055000  0.53055000  0.96945000  1.0
  Li  Li6  1  0.71945000  0.71945000  0.28055000  1.0
  Li  Li7  1  0.71945000  0.28055000  0.28055000  1.0
  Li  Li8  1  0.53055000  0.96945000  0.53055000  1.0
  Li  Li9  1  0.96945000  0.53055000  0.96945000  1.0
  Li  Li10  1  0.28055000  0.71945000  0.71945000  1.0
  Li  Li11  1  0.96945000  0.96945000  0.53055000  1.0
  Fe  Fe12  1  0.62500000  0.12500000  0.12500000  1.0
  Fe  Fe13  1  0.12500000  0.12500000  0.12500000  1.0
  Fe  Fe14  1  0.12500000  0.12500000  0.62500000  1.0
  Fe  Fe15  1  0.12500000  0.62500000  0.12500000  1.0
  B  B16  1  0.28001700  0.90666100  0.90666100  1.0
  B  B17  1  0.90666100  0.28001700  0.90666100  1.0
  B  B18  1  0.90666100  0.90666100  0.90666100  1.0
  B  B19  1  0.90666100  0.90666100  0.28001700  1.0
  B  B20  1  0.34333900  0.34333900  0.96998300  1.0
  B  B21  1  0.34333900  0.34333900  0.34333900  1.0
  B  B22  1  0.34333900  0.96998300  0.34333900  1.0
  B  B23  1  0.96998300  0.34333900  0.34333900  1.0
  S  S24  1  0.50000000  0.50000000  0.50000000  1.0
  S  S25  1  0.75000000  0.75000000  0.75000000  1.0
  O  O26  1  0.20635400  0.49517800  0.33019800  1.0
  O  O27  1  0.96827100  0.33019800  0.49517800  1.0
  O  O28  1  0.28172900  0.04364600  0.91980200  1.0
  O  O29  1  0.04364600  0.28172900  0.75482200  1.0
  O  O30  1  0.28172900  0.75482200  0.04364600  1.0
  O  O31  1  0.56433100  0.56433100  0.30700600  1.0
  O  O32  1  0.91980200  0.04364600  0.75482200  1.0
  O  O33  1  0.56433100  0.56433100  0.56433100  1.0
  O  O34  1  0.56433100  0.30700600  0.56433100  1.0
  O  O35  1  0.91980200  0.28172900  0.04364600  1.0
  O  O36  1  0.75482200  0.28172900  0.91980200  1.0
  O  O37  1  0.30700600  0.56433100  0.56433100  1.0
  O  O38  1  0.04364600  0.91980200  0.28172900  1.0
  O  O39  1  0.75482200  0.91980200  0.04364600  1.0
  O  O40  1  0.91980200  0.75482200  0.28172900  1.0
  O  O41  1  0.49517800  0.20635400  0.96827100  1.0
  O  O42  1  0.75482200  0.04364600  0.28172900  1.0
  O  O43  1  0.33019800  0.49517800  0.96827100  1.0
  O  O44  1  0.49517800  0.33019800  0.20635400  1.0
  O  O45  1  0.20635400  0.33019800  0.96827100  1.0
  O  O46  1  0.94299400  0.68566900  0.68566900  1.0
  O  O47  1  0.49517800  0.96827100  0.33019800  1.0
  O  O48  1  0.33019800  0.96827100  0.20635400  1.0
  O  O49  1  0.68566900  0.94299400  0.68566900  1.0
  O  O50  1  0.68566900  0.68566900  0.68566900  1.0
  O  O51  1  0.33019800  0.20635400  0.49517800  1.0
  O  O52  1  0.68566900  0.68566900  0.94299400  1.0
  O  O53  1  0.96827100  0.49517800  0.20635400  1.0
  O  O54  1  0.20635400  0.96827100  0.49517800  1.0
  O  O55  1  0.96827100  0.20635400  0.33019800  1.0
  O  O56  1  0.28172900  0.91980200  0.75482200  1.0
  O  O57  1  0.04364600  0.75482200  0.91980200  1.0