# generated using pymatgen
data_Ni9S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22711306
_cell_length_b   11.14648226
_cell_length_c   9.35497437
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni9S8
_chemical_formula_sum   'Ni36 S32'
_cell_volume   962.15772974
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.12488800  0.58416500  0.37498600  1
  Ni  Ni1  1  0.87511200  0.41583500  0.37498600  1
  Ni  Ni2  1  0.12488800  0.41583500  0.62501400  1
  Ni  Ni3  1  0.87511200  0.58416500  0.62501400  1
  Ni  Ni4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.21516200  1
  Ni  Ni6  1  0.00000000  0.00000000  0.78483800  1
  Ni  Ni7  1  0.72187500  0.50000000  0.00000000  1
  Ni  Ni8  1  0.27812500  0.50000000  0.00000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni10  1  0.87184600  0.18552000  0.12308000  1
  Ni  Ni11  1  0.12815400  0.81448000  0.12308000  1
  Ni  Ni12  1  0.87184600  0.81448000  0.87692000  1
  Ni  Ni13  1  0.12815400  0.18552000  0.87692000  1
  Ni  Ni14  1  0.25000000  0.25000000  0.26871600  1
  Ni  Ni15  1  0.75000000  0.25000000  0.73128400  1
  Ni  Ni16  1  0.00000000  0.23609600  0.50000000  1
  Ni  Ni17  1  0.00000000  0.76390400  0.50000000  1
  Ni  Ni18  1  0.62488800  0.08416500  0.37498600  1
  Ni  Ni19  1  0.37511200  0.91583500  0.37498600  1
  Ni  Ni20  1  0.62488800  0.91583500  0.62501400  1
  Ni  Ni21  1  0.37511200  0.08416500  0.62501400  1
  Ni  Ni22  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni23  1  0.50000000  0.50000000  0.21516200  1
  Ni  Ni24  1  0.50000000  0.50000000  0.78483800  1
  Ni  Ni25  1  0.22187500  0.00000000  0.00000000  1
  Ni  Ni26  1  0.77812500  0.00000000  0.00000000  1
  Ni  Ni27  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni28  1  0.37184600  0.68552000  0.12308000  1
  Ni  Ni29  1  0.62815400  0.31448000  0.12308000  1
  Ni  Ni30  1  0.37184600  0.31448000  0.87692000  1
  Ni  Ni31  1  0.62815400  0.68552000  0.87692000  1
  Ni  Ni32  1  0.75000000  0.75000000  0.26871600  1
  Ni  Ni33  1  0.25000000  0.75000000  0.73128400  1
  Ni  Ni34  1  0.50000000  0.73609600  0.50000000  1
  Ni  Ni35  1  0.50000000  0.26390400  0.50000000  1
  S  S36  1  0.88271900  0.84770600  0.11820900  1
  S  S37  1  0.11728100  0.15229400  0.11820900  1
  S  S38  1  0.88271900  0.15229400  0.88179100  1
  S  S39  1  0.11728100  0.84770600  0.88179100  1
  S  S40  1  0.36573300  0.61574300  0.36092200  1
  S  S41  1  0.63426700  0.38425700  0.36092200  1
  S  S42  1  0.36573300  0.38425700  0.63907800  1
  S  S43  1  0.63426700  0.61574300  0.63907800  1
  S  S44  1  0.13131700  0.61551700  0.13637400  1
  S  S45  1  0.86868300  0.38448300  0.13637400  1
  S  S46  1  0.13131700  0.38448300  0.86362600  1
  S  S47  1  0.86868300  0.61551700  0.86362600  1
  S  S48  1  0.12054500  0.37834400  0.38505600  1
  S  S49  1  0.87945500  0.62165600  0.38505600  1
  S  S50  1  0.12054500  0.62165600  0.61494400  1
  S  S51  1  0.87945500  0.37834400  0.61494400  1
  S  S52  1  0.38271900  0.34770600  0.11820900  1
  S  S53  1  0.61728100  0.65229400  0.11820900  1
  S  S54  1  0.38271900  0.65229400  0.88179100  1
  S  S55  1  0.61728100  0.34770600  0.88179100  1
  S  S56  1  0.86573300  0.11574300  0.36092200  1
  S  S57  1  0.13426700  0.88425700  0.36092200  1
  S  S58  1  0.86573300  0.88425700  0.63907800  1
  S  S59  1  0.13426700  0.11574300  0.63907800  1
  S  S60  1  0.63131700  0.11551700  0.13637400  1
  S  S61  1  0.36868300  0.88448300  0.13637400  1
  S  S62  1  0.63131700  0.88448300  0.86362600  1
  S  S63  1  0.36868300  0.11551700  0.86362600  1
  S  S64  1  0.62054500  0.87834400  0.38505600  1
  S  S65  1  0.37945500  0.12165600  0.38505600  1
  S  S66  1  0.62054500  0.12165600  0.61494400  1
  S  S67  1  0.37945500  0.87834400  0.61494400  1
