# generated using pymatgen
data_Ni17S18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30153207
_cell_length_b   10.30153207
_cell_length_c   15.47470631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni17S18
_chemical_formula_sum   'Ni51 S54'
_cell_volume   1422.18693578
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.17416400  1
  Ni  Ni1  1  0.33333300  0.66666700  0.49250300  1
  Ni  Ni2  1  0.33333300  0.98887700  0.16666700  1
  Ni  Ni3  1  0.01112300  0.34445600  0.16666700  1
  Ni  Ni4  1  0.32221000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.67779000  0.50000000  1
  Ni  Ni6  1  0.65554400  0.98887700  0.16666700  1
  Ni  Ni7  1  0.01112300  0.66666700  0.16666700  1
  Ni  Ni8  1  0.00000000  0.00000000  0.34652100  1
  Ni  Ni9  1  0.33333300  0.66666700  0.32014600  1
  Ni  Ni10  1  0.34200100  0.00866800  0.33333300  1
  Ni  Ni11  1  0.99133200  0.33333300  0.33333300  1
  Ni  Ni12  1  0.66666700  0.65799900  0.33333300  1
  Ni  Ni13  1  0.00866800  0.66666700  0.66666700  1
  Ni  Ni14  1  0.00000000  0.67533400  0.00000000  1
  Ni  Ni15  1  0.99133200  0.65799900  0.33333300  1
  Ni  Ni16  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni17  1  0.66666700  0.33333300  0.50749700  1
  Ni  Ni18  1  0.00000000  0.00000000  0.82583600  1
  Ni  Ni19  1  0.00000000  0.32221000  0.50000000  1
  Ni  Ni20  1  0.67779000  0.67779000  0.50000000  1
  Ni  Ni21  1  0.98887700  0.33333300  0.83333300  1
  Ni  Ni22  1  0.66666700  0.01112300  0.83333300  1
  Ni  Ni23  1  0.32221000  0.32221000  0.50000000  1
  Ni  Ni24  1  0.67779000  0.00000000  0.50000000  1
  Ni  Ni25  1  0.66666700  0.33333300  0.67985400  1
  Ni  Ni26  1  0.00000000  0.00000000  0.65347900  1
  Ni  Ni27  1  0.00866800  0.34200100  0.66666700  1
  Ni  Ni28  1  0.65799900  0.66666700  0.66666700  1
  Ni  Ni29  1  0.33333300  0.99133200  0.66666700  1
  Ni  Ni30  1  0.67533400  0.00000000  0.00000000  1
  Ni  Ni31  1  0.66666700  0.00866800  0.33333300  1
  Ni  Ni32  1  0.65799900  0.99133200  0.66666700  1
  Ni  Ni33  1  0.33333300  0.66666700  0.66666700  1
  Ni  Ni34  1  0.33333300  0.66666700  0.84083100  1
  Ni  Ni35  1  0.66666700  0.33333300  0.15916900  1
  Ni  Ni36  1  0.66666700  0.65554400  0.83333300  1
  Ni  Ni37  1  0.34445600  0.01112300  0.83333300  1
  Ni  Ni38  1  0.65554400  0.66666700  0.16666700  1
  Ni  Ni39  1  0.33333300  0.34445600  0.16666700  1
  Ni  Ni40  1  0.98887700  0.65554400  0.83333300  1
  Ni  Ni41  1  0.34445600  0.33333300  0.83333300  1
  Ni  Ni42  1  0.33333300  0.66666700  0.01318700  1
  Ni  Ni43  1  0.66666700  0.33333300  0.98681300  1
  Ni  Ni44  1  0.67533400  0.67533400  0.00000000  1
  Ni  Ni45  1  0.32466600  0.00000000  0.00000000  1
  Ni  Ni46  1  0.00000000  0.32466600  0.00000000  1
  Ni  Ni47  1  0.34200100  0.33333300  0.33333300  1
  Ni  Ni48  1  0.33333300  0.34200100  0.66666700  1
  Ni  Ni49  1  0.32466600  0.32466600  0.00000000  1
  Ni  Ni50  1  0.00000000  0.00000000  0.00000000  1
  S  S51  1  0.77531500  0.22468500  0.24550100  1
  S  S52  1  0.77531500  0.55063100  0.24550100  1
  S  S53  1  0.11603600  0.55801800  0.57883500  1
  S  S54  1  0.88396400  0.44198200  0.42116500  1
  S  S55  1  0.89135100  0.78270300  0.08783200  1
  S  S56  1  0.55801800  0.44198200  0.42116500  1
  S  S57  1  0.77799800  0.55599600  0.58696600  1
  S  S58  1  0.77733700  0.88866900  0.25363300  1
  S  S59  1  0.11133100  0.88866900  0.25363300  1
  S  S60  1  0.22200200  0.44400400  0.41303400  1
  S  S61  1  0.22200200  0.77799800  0.41303400  1
  S  S62  1  0.88933000  0.44466500  0.07970100  1
  S  S63  1  0.10663700  0.55331900  0.25352800  1
  S  S64  1  0.11334800  0.88665200  0.58686200  1
  S  S65  1  0.44668100  0.89336300  0.25352800  1
  S  S66  1  0.21998500  0.78001500  0.07980500  1
  S  S67  1  0.22669600  0.11334800  0.41313800  1
  S  S68  1  0.88665200  0.77330400  0.41313800  1
  S  S69  1  0.44198200  0.55801800  0.57883500  1
  S  S70  1  0.44198200  0.88396400  0.57883500  1
  S  S71  1  0.78270300  0.89135100  0.91216800  1
  S  S72  1  0.55063100  0.77531500  0.75449900  1
  S  S73  1  0.55801800  0.11603600  0.42116500  1
  S  S74  1  0.22468500  0.77531500  0.75449900  1
  S  S75  1  0.44466500  0.88933000  0.92029900  1
  S  S76  1  0.44400400  0.22200200  0.58696600  1
  S  S77  1  0.77799800  0.22200200  0.58696600  1
  S  S78  1  0.88866900  0.77733700  0.74636700  1
  S  S79  1  0.88866900  0.11133100  0.74636700  1
  S  S80  1  0.55599600  0.77799800  0.41303400  1
  S  S81  1  0.77330400  0.88665200  0.58686200  1
  S  S82  1  0.78001500  0.21998500  0.92019500  1
  S  S83  1  0.11334800  0.22669600  0.58686200  1
  S  S84  1  0.88665200  0.11334800  0.41313800  1
  S  S85  1  0.89336300  0.44668100  0.74647200  1
  S  S86  1  0.55331900  0.10663700  0.74647200  1
  S  S87  1  0.10864900  0.89135100  0.91216800  1
  S  S88  1  0.10864900  0.21729700  0.91216800  1
  S  S89  1  0.44936900  0.22468500  0.24550100  1
  S  S90  1  0.21729700  0.10864900  0.08783200  1
  S  S91  1  0.22468500  0.44936900  0.75449900  1
  S  S92  1  0.89135100  0.10864900  0.08783200  1
  S  S93  1  0.11133100  0.22266300  0.25363300  1
  S  S94  1  0.11067000  0.55533500  0.92029900  1
  S  S95  1  0.44466500  0.55533500  0.92029900  1
  S  S96  1  0.55533500  0.11067000  0.07970100  1
  S  S97  1  0.55533500  0.44466500  0.07970100  1
  S  S98  1  0.22266300  0.11133100  0.74636700  1
  S  S99  1  0.43997000  0.21998500  0.92019500  1
  S  S100  1  0.44668100  0.55331900  0.25352800  1
  S  S101  1  0.78001500  0.56003000  0.92019500  1
  S  S102  1  0.55331900  0.44668100  0.74647200  1
  S  S103  1  0.56003000  0.78001500  0.07980500  1
  S  S104  1  0.21998500  0.43997000  0.07980500  1
