# generated using pymatgen
data_K2(NbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93595313
_cell_length_b   5.93595313
_cell_length_c   15.77503611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00193833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2(NbS2)3
_chemical_formula_sum   'K4 Nb6 S12'
_cell_volume   481.36381142
_cell_formula_units_Z   2
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
  K  K0  1  -0.00000404  0.66670705  0.50000000  1.0
  K  K1  1  0.66670705  -0.00000404  0.50000000  1.0
  K  K2  1  0.66684412  0.33332891  -0.00000000  1.0
  K  K3  1  0.33332891  0.66684412  -0.00000000  1.0
  Nb  Nb4  1  0.66853720  0.33330842  0.25077382  1.0
  Nb  Nb5  1  0.99810397  0.99810397  0.25099614  1.0
  Nb  Nb6  1  0.33330842  0.66853720  0.25077382  1.0
  Nb  Nb7  1  0.66853720  0.33330842  0.74922618  1.0
  Nb  Nb8  1  0.99810397  0.99810397  0.74900386  1.0
  Nb  Nb9  1  0.33330842  0.66853720  0.74922618  1.0
  S  S10  1  0.66701056  0.66701056  0.15326606  1.0
  S  S11  1  0.00121937  0.33163449  0.15324600  1.0
  S  S12  1  0.33163449  0.00121937  0.15324600  1.0
  S  S13  1  0.66701056  0.66701056  0.84673394  1.0
  S  S14  1  0.00121937  0.33163449  0.84675400  1.0
  S  S15  1  0.33163449  0.00121937  0.84675400  1.0
  S  S16  1  0.66330105  0.66330105  0.34819599  1.0
  S  S17  1  0.00317752  0.33350089  0.34820694  1.0
  S  S18  1  0.33350089  0.00317752  0.34820694  1.0
  S  S19  1  0.66330105  0.66330105  0.65180401  1.0
  S  S20  1  0.00317752  0.33350089  0.65179306  1.0
  S  S21  1  0.33350089  0.00317752  0.65179306  1.0