# generated using pymatgen
data_Mn(NbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90681572
_cell_length_b   3.36084790
_cell_length_c   13.12111155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(NbS2)2
_chemical_formula_sum   'Mn4 Nb8 S16'
_cell_volume   480.96941619
_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
  Mn  Mn0  1  0.25000000  0.25219500  0.33912600  1
  Mn  Mn1  1  0.25000000  0.75219500  0.16087400  1
  Mn  Mn2  1  0.75000000  0.74780500  0.66087400  1
  Mn  Mn3  1  0.75000000  0.24780500  0.83912600  1
  Nb  Nb4  1  0.25000000  0.04166200  0.58313300  1
  Nb  Nb5  1  0.25000000  0.54166200  0.91686700  1
  Nb  Nb6  1  0.75000000  0.95833800  0.41686700  1
  Nb  Nb7  1  0.75000000  0.45833800  0.08313300  1
  Nb  Nb8  1  0.25000000  0.11436700  0.10193300  1
  Nb  Nb9  1  0.25000000  0.61436700  0.39806700  1
  Nb  Nb10  1  0.75000000  0.88563300  0.89806700  1
  Nb  Nb11  1  0.75000000  0.38563300  0.60193300  1
  S  S12  1  0.25000000  0.32529400  0.99192200  1
  S  S13  1  0.25000000  0.82529400  0.50807800  1
  S  S14  1  0.75000000  0.67470600  0.00807800  1
  S  S15  1  0.75000000  0.17470600  0.49192200  1
  S  S16  1  0.25000000  0.24375500  0.68967800  1
  S  S17  1  0.25000000  0.74375500  0.81032200  1
  S  S18  1  0.75000000  0.75624500  0.31032200  1
  S  S19  1  0.75000000  0.25624500  0.18967800  1
  S  S20  1  0.25000000  0.06108500  0.91296300  1
  S  S21  1  0.25000000  0.56108500  0.58703700  1
  S  S22  1  0.75000000  0.93891500  0.08703700  1
  S  S23  1  0.75000000  0.43891500  0.41296300  1
  S  S24  1  0.25000000  0.03219800  0.28860200  1
  S  S25  1  0.25000000  0.53219800  0.21139800  1
  S  S26  1  0.75000000  0.96780200  0.71139800  1
  S  S27  1  0.75000000  0.46780200  0.78860200  1
