# generated using pymatgen
data_Li5BiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40879900
_cell_length_b   11.79332400
_cell_length_c   11.99537200
_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   1613.94927011
_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  0.12522800  0.59797500  0.14759100  1
  Li  Li1  1  0.12522800  0.90202500  0.64759100  1
  Li  Li2  1  0.11651700  0.12968700  0.85344500  1
  Li  Li3  1  0.11651700  0.37031300  0.35344500  1
  Li  Li4  1  0.13125000  0.85260000  0.40705400  1
  Li  Li5  1  0.13125000  0.64740000  0.90705400  1
  Li  Li6  1  0.14187500  0.86422800  0.13702800  1
  Li  Li7  1  0.14187500  0.63577200  0.63702800  1
  Li  Li8  1  0.14811600  0.10654600  0.40021400  1
  Li  Li9  1  0.14811600  0.39345400  0.90021400  1
  Li  Li10  1  0.35188400  0.89345400  0.90021400  1
  Li  Li11  1  0.35188400  0.60654600  0.40021400  1
  Li  Li12  1  0.35812500  0.13577200  0.63702800  1
  Li  Li13  1  0.35812500  0.36422800  0.13702800  1
  Li  Li14  1  0.36875000  0.35260000  0.40705400  1
  Li  Li15  1  0.36875000  0.14740000  0.90705400  1
  Li  Li16  1  0.38348300  0.62968700  0.85344500  1
  Li  Li17  1  0.38348300  0.87031300  0.35344500  1
  Li  Li18  1  0.37477200  0.40202500  0.64759100  1
  Li  Li19  1  0.37477200  0.09797500  0.14759100  1
  Li  Li20  1  0.62522800  0.59797500  0.35240900  1
  Li  Li21  1  0.62522800  0.90202500  0.85240900  1
  Li  Li22  1  0.61651700  0.12968700  0.64655500  1
  Li  Li23  1  0.61651700  0.37031300  0.14655500  1
  Li  Li24  1  0.63125000  0.64740000  0.59294600  1
  Li  Li25  1  0.63125000  0.85260000  0.09294600  1
  Li  Li26  1  0.64187500  0.63577200  0.86297200  1
  Li  Li27  1  0.64187500  0.86422800  0.36297200  1
  Li  Li28  1  0.64811600  0.10654600  0.09978600  1
  Li  Li29  1  0.64811600  0.39345400  0.59978600  1
  Li  Li30  1  0.85188400  0.60654600  0.09978600  1
  Li  Li31  1  0.85188400  0.89345400  0.59978600  1
  Li  Li32  1  0.85812500  0.36422800  0.36297200  1
  Li  Li33  1  0.85812500  0.13577200  0.86297200  1
  Li  Li34  1  0.86875000  0.14740000  0.59294600  1
  Li  Li35  1  0.86875000  0.35260000  0.09294600  1
  Li  Li36  1  0.88348300  0.62968700  0.64655500  1
  Li  Li37  1  0.88348300  0.87031300  0.14655500  1
  Li  Li38  1  0.87477200  0.09797500  0.35240900  1
  Li  Li39  1  0.87477200  0.40202500  0.85240900  1
  Bi  Bi40  1  0.08412000  0.15059900  0.14218700  1
  Bi  Bi41  1  0.08412000  0.34940100  0.64218700  1
  Bi  Bi42  1  0.41588000  0.65059900  0.14218700  1
  Bi  Bi43  1  0.41588000  0.84940100  0.64218700  1
  Bi  Bi44  1  0.58412000  0.15059900  0.35781300  1
  Bi  Bi45  1  0.58412000  0.34940100  0.85781300  1
  Bi  Bi46  1  0.91588000  0.65059900  0.35781300  1
  Bi  Bi47  1  0.91588000  0.84940100  0.85781300  1
  S  S48  1  0.99385900  0.23502600  0.45640500  1
  S  S49  1  0.99385900  0.26497400  0.95640500  1
  S  S50  1  0.02128300  0.97138900  0.27379400  1
  S  S51  1  0.02128300  0.52861100  0.77379400  1
  S  S52  1  0.22152200  0.02695200  0.01344200  1
  S  S53  1  0.22152200  0.47304800  0.51344100  1
  S  S54  1  0.26050900  0.23051200  0.26831700  1
  S  S55  1  0.26050900  0.26948800  0.76831700  1
  S  S56  1  0.23949100  0.73051200  0.26831700  1
  S  S57  1  0.23949100  0.76948800  0.76831700  1
  S  S58  1  0.27847800  0.52695200  0.01344200  1
  S  S59  1  0.27847800  0.97304800  0.51344100  1
  S  S60  1  0.47871700  0.47138900  0.27379400  1
  S  S61  1  0.47871700  0.02861100  0.77379400  1
  S  S62  1  0.50614100  0.73502600  0.45640500  1
  S  S63  1  0.50614100  0.76497400  0.95640500  1
  S  S64  1  0.49385900  0.23502600  0.04359500  1
  S  S65  1  0.49385900  0.26497400  0.54359500  1
  S  S66  1  0.52128300  0.97138900  0.22620600  1
  S  S67  1  0.52128300  0.52861100  0.72620600  1
  S  S68  1  0.72152200  0.47304800  0.98655900  1
  S  S69  1  0.72152200  0.02695200  0.48655900  1
  S  S70  1  0.76050900  0.23051200  0.23168300  1
  S  S71  1  0.76050900  0.26948800  0.73168300  1
  S  S72  1  0.73949100  0.73051200  0.23168300  1
  S  S73  1  0.73949100  0.76948800  0.73168300  1
  S  S74  1  0.77847800  0.97304800  0.98655900  1
  S  S75  1  0.77847800  0.52695200  0.48655900  1
  S  S76  1  0.97871700  0.02861100  0.72620600  1
  S  S77  1  0.97871700  0.47138900  0.22620600  1
  S  S78  1  0.00614100  0.73502600  0.04359500  1
  S  S79  1  0.00614100  0.76497400  0.54359500  1
