# generated using pymatgen
data_NiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58536353
_cell_length_b   5.58539618
_cell_length_c   5.58539650
_cell_angle_alpha   116.60176392
_cell_angle_beta   116.60061738
_cell_angle_gamma   116.60062638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiS
_chemical_formula_sum   'Ni3 S3'
_cell_volume   81.52968414
_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  0.65965952  0.39687861  0.39687861  1.0
  Ni  Ni1  1  0.39687808  0.39685974  0.65963116  1.0
  Ni  Ni2  1  0.39687808  0.65963116  0.39685974  1.0
  S  S3  1  0.78351199  0.11925663  0.11925663  1.0
  S  S4  1  0.11923767  0.11924664  0.78352921  1.0
  S  S5  1  0.11923767  0.78352921  0.11924664  1.0