# generated using pymatgen
data_Mn(NbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84261471
_cell_length_b   5.84261470
_cell_length_c   12.56513518
_cell_angle_alpha   90.00000157
_cell_angle_beta   89.99999970
_cell_angle_gamma   119.99980493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(NbS2)3
_chemical_formula_sum   'Mn2 Nb6 S12'
_cell_volume   371.46093301
_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
  Mn  Mn0  1  0.66666723  0.33333307  0.75003146  1.0
  Mn  Mn1  1  0.33333285  0.66666724  0.24996887  1.0
  Nb  Nb2  1  0.33333249  0.66666583  0.50118172  1.0
  Nb  Nb3  1  0.66666740  0.33333426  0.00114531  1.0
  Nb  Nb4  1  0.66666575  0.33333249  0.49884697  1.0
  Nb  Nb5  1  0.33333405  0.66666753  -0.00117608  1.0
  Nb  Nb6  1  -0.00000105  -0.00000104  0.50000600  1.0
  Nb  Nb7  1  0.00000093  0.00000108  -0.00000810  1.0
  S  S8  1  0.33285627  0.33091646  0.12448543  1.0
  S  S9  1  0.66908473  0.00194060  0.12448515  1.0
  S  S10  1  0.99806038  0.66714497  0.12448543  1.0
  S  S11  1  0.00193611  0.33284851  0.62450727  1.0
  S  S12  1  0.66714734  0.99807002  0.87551854  1.0
  S  S13  1  0.66715019  0.66908680  0.62450727  1.0
  S  S14  1  0.33091199  0.99806285  0.62450698  1.0
  S  S15  1  0.66909134  0.66714687  0.37548937  1.0
  S  S16  1  0.33285185  0.00194408  0.37548939  1.0
  S  S17  1  0.33092324  0.33285397  0.87551853  1.0
  S  S18  1  0.00193103  0.66907798  0.87551884  1.0
  S  S19  1  0.99805490  0.33090742  0.37548965  1.0