# generated using pymatgen
data_Li5BiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.62000400
_cell_length_b   16.62000400
_cell_length_c   5.93908200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5BiS4
_chemical_formula_sum   'Li40 Bi8 S32'
_cell_volume   1640.52015166
_cell_formula_units_Z   8
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  0.98962100  0.01037900  0.25000000  1
  Li  Li1  1  0.01037900  0.98962100  0.75000000  1
  Li  Li2  1  0.98962100  0.48962100  0.25000000  1
  Li  Li3  1  0.01037900  0.51037900  0.75000000  1
  Li  Li4  1  0.11164300  0.36312100  0.81307300  1
  Li  Li5  1  0.11164300  0.13687900  0.81307300  1
  Li  Li6  1  0.12223300  0.62223300  0.25000000  1
  Li  Li7  1  0.12223300  0.87776700  0.25000000  1
  Li  Li8  1  0.13687900  0.11164300  0.31307300  1
  Li  Li9  1  0.13687900  0.38835700  0.31307300  1
  Li  Li10  1  0.25000000  0.25000000  0.33640700  1
  Li  Li11  1  0.25000000  0.75000000  0.75000000  1
  Li  Li12  1  0.25000000  0.75000000  0.25000000  1
  Li  Li13  1  0.25000000  0.25000000  0.83640700  1
  Li  Li14  1  0.36312100  0.11164300  0.31307300  1
  Li  Li15  1  0.36312100  0.38835700  0.31307300  1
  Li  Li16  1  0.37776700  0.62223300  0.25000000  1
  Li  Li17  1  0.37776700  0.87776700  0.25000000  1
  Li  Li18  1  0.38835700  0.13687900  0.81307300  1
  Li  Li19  1  0.38835700  0.36312100  0.81307300  1
  Li  Li20  1  0.51037900  0.48962100  0.25000000  1
  Li  Li21  1  0.48962100  0.51037900  0.75000000  1
  Li  Li22  1  0.51037900  0.01037900  0.25000000  1
  Li  Li23  1  0.48962100  0.98962100  0.75000000  1
  Li  Li24  1  0.61164300  0.63687900  0.18692700  1
  Li  Li25  1  0.61164300  0.86312100  0.18692700  1
  Li  Li26  1  0.62223300  0.12223300  0.75000000  1
  Li  Li27  1  0.62223300  0.37776700  0.75000000  1
  Li  Li28  1  0.63687900  0.61164300  0.68692700  1
  Li  Li29  1  0.63687900  0.88835700  0.68692700  1
  Li  Li30  1  0.75000000  0.25000000  0.75000000  1
  Li  Li31  1  0.75000000  0.25000000  0.25000000  1
  Li  Li32  1  0.75000000  0.75000000  0.16359300  1
  Li  Li33  1  0.75000000  0.75000000  0.66359300  1
  Li  Li34  1  0.86312100  0.61164300  0.68692700  1
  Li  Li35  1  0.86312100  0.88835700  0.68692700  1
  Li  Li36  1  0.87776700  0.12223300  0.75000000  1
  Li  Li37  1  0.87776700  0.37776700  0.75000000  1
  Li  Li38  1  0.88835700  0.63687900  0.18692700  1
  Li  Li39  1  0.88835700  0.86312100  0.18692700  1
  Bi  Bi40  1  0.01759700  0.75000000  0.71421900  1
  Bi  Bi41  1  0.25000000  0.51759700  0.78578100  1
  Bi  Bi42  1  0.25000000  0.98240300  0.78578100  1
  Bi  Bi43  1  0.48240300  0.75000000  0.71421900  1
  Bi  Bi44  1  0.51759700  0.25000000  0.28578100  1
  Bi  Bi45  1  0.75000000  0.01759700  0.21421900  1
  Bi  Bi46  1  0.75000000  0.48240300  0.21421900  1
  Bi  Bi47  1  0.98240300  0.25000000  0.28578100  1
  S  S48  1  0.00908100  0.11486000  0.52901600  1
  S  S49  1  0.00908100  0.38514000  0.52901600  1
  S  S50  1  0.11486000  0.00908100  0.02901600  1
  S  S51  1  0.11486000  0.49091900  0.02901600  1
  S  S52  1  0.13201200  0.25000000  0.08711700  1
  S  S53  1  0.13183100  0.75000000  0.02429300  1
  S  S54  1  0.25000000  0.13201200  0.58711700  1
  S  S55  1  0.25000000  0.63183100  0.47570700  1
  S  S56  1  0.25000000  0.36798800  0.58711700  1
  S  S57  1  0.25000000  0.86816900  0.47570700  1
  S  S58  1  0.36816900  0.75000000  0.02429300  1
  S  S59  1  0.36798800  0.25000000  0.08711700  1
  S  S60  1  0.38514000  0.49091900  0.02901600  1
  S  S61  1  0.38514000  0.00908100  0.02901600  1
  S  S62  1  0.49091900  0.11486000  0.52901600  1
  S  S63  1  0.49091900  0.38514000  0.52901600  1
  S  S64  1  0.50908100  0.61486000  0.47098400  1
  S  S65  1  0.50908100  0.88514000  0.47098400  1
  S  S66  1  0.61486000  0.50908100  0.97098400  1
  S  S67  1  0.61486000  0.99091900  0.97098400  1
  S  S68  1  0.63201200  0.75000000  0.91288300  1
  S  S69  1  0.63183100  0.25000000  0.97570700  1
  S  S70  1  0.75000000  0.13183100  0.52429300  1
  S  S71  1  0.75000000  0.36816900  0.52429300  1
  S  S72  1  0.75000000  0.63201200  0.41288300  1
  S  S73  1  0.75000000  0.86798800  0.41288300  1
  S  S74  1  0.86816900  0.25000000  0.97570700  1
  S  S75  1  0.86798800  0.75000000  0.91288300  1
  S  S76  1  0.88514000  0.50908100  0.97098400  1
  S  S77  1  0.88514000  0.99091900  0.97098400  1
  S  S78  1  0.99091900  0.61486000  0.47098400  1
  S  S79  1  0.99091900  0.88514000  0.47098400  1
