# generated using pymatgen
data_Li6Bi2B4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73614054
_cell_length_b   9.73614054
_cell_length_c   9.73614054
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Bi2B4SO16
_chemical_formula_sum   'Li12 Bi4 B8 S2 O32'
_cell_volume   652.59764950
_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  0.28646900  0.71353100  0.28646900  1
  Li  Li1  1  0.71353100  0.28646900  0.28646900  1
  Li  Li2  1  0.71353100  0.71353100  0.28646900  1
  Li  Li3  1  0.53646900  0.96353100  0.53646900  1
  Li  Li4  1  0.28646900  0.71353100  0.71353100  1
  Li  Li5  1  0.28646900  0.28646900  0.71353100  1
  Li  Li6  1  0.96353100  0.96353100  0.53646900  1
  Li  Li7  1  0.96353100  0.53646900  0.53646900  1
  Li  Li8  1  0.71353100  0.28646900  0.71353100  1
  Li  Li9  1  0.53646900  0.96353100  0.96353100  1
  Li  Li10  1  0.53646900  0.53646900  0.96353100  1
  Li  Li11  1  0.96353100  0.53646900  0.96353100  1
  Bi  Bi12  1  0.12500000  0.62500000  0.12500000  1
  Bi  Bi13  1  0.12500000  0.12500000  0.12500000  1
  Bi  Bi14  1  0.62500000  0.12500000  0.12500000  1
  Bi  Bi15  1  0.12500000  0.12500000  0.62500000  1
  B  B16  1  0.89721300  0.89721300  0.30836100  1
  B  B17  1  0.35278700  0.35278700  0.35278700  1
  B  B18  1  0.35278700  0.94163900  0.35278700  1
  B  B19  1  0.94163900  0.35278700  0.35278700  1
  B  B20  1  0.30836100  0.89721300  0.89721300  1
  B  B21  1  0.89721300  0.30836100  0.89721300  1
  B  B22  1  0.89721300  0.89721300  0.89721300  1
  B  B23  1  0.35278700  0.35278700  0.94163900  1
  S  S24  1  0.75000000  0.75000000  0.75000000  1
  S  S25  1  0.50000000  0.50000000  0.50000000  1
  O  O26  1  0.04112000  0.89493300  0.30718100  1
  O  O27  1  0.89493300  0.75676600  0.30718100  1
  O  O28  1  0.75676600  0.04112000  0.30718100  1
  O  O29  1  0.49323400  0.35506700  0.20888000  1
  O  O30  1  0.93811100  0.68729600  0.68729600  1
  O  O31  1  0.49323400  0.94281900  0.35506700  1
  O  O32  1  0.35506700  0.94281900  0.20888000  1
  O  O33  1  0.68729600  0.93811100  0.68729600  1
  O  O34  1  0.68729600  0.68729600  0.68729600  1
  O  O35  1  0.20888000  0.49323400  0.35506700  1
  O  O36  1  0.35506700  0.20888000  0.49323400  1
  O  O37  1  0.68729600  0.68729600  0.93811100  1
  O  O38  1  0.94281900  0.49323400  0.20888000  1
  O  O39  1  0.20888000  0.94281900  0.49323400  1
  O  O40  1  0.94281900  0.20888000  0.35506700  1
  O  O41  1  0.30718100  0.89493300  0.75676600  1
  O  O42  1  0.94281900  0.35506700  0.49323400  1
  O  O43  1  0.30718100  0.04112000  0.89493300  1
  O  O44  1  0.04112000  0.30718100  0.75676600  1
  O  O45  1  0.30718100  0.75676600  0.04112000  1
  O  O46  1  0.56270400  0.56270400  0.31188900  1
  O  O47  1  0.89493300  0.04112000  0.75676600  1
  O  O48  1  0.04112000  0.75676600  0.89493300  1
  O  O49  1  0.56270400  0.56270400  0.56270400  1
  O  O50  1  0.56270400  0.31188900  0.56270400  1
  O  O51  1  0.89493300  0.30718100  0.04112000  1
  O  O52  1  0.75676600  0.30718100  0.89493300  1
  O  O53  1  0.31188900  0.56270400  0.56270400  1
  O  O54  1  0.75676600  0.89493300  0.04112000  1
  O  O55  1  0.49323400  0.20888000  0.94281900  1
  O  O56  1  0.35506700  0.49323400  0.94281900  1
  O  O57  1  0.20888000  0.35506700  0.94281900  1
