# generated using pymatgen
data_Nb3SnS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85017274
_cell_length_b   5.85017373
_cell_length_c   14.45335667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3SnS6
_chemical_formula_sum   'Nb6 Sn2 S12'
_cell_volume   428.38756443
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.99893401  1.0
  Nb  Nb1  1  -0.00000000  0.00000000  -0.00000000  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.00106599  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.50106599  1.0
  Nb  Nb4  1  -0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.49893401  1.0
  Sn  Sn6  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.66755162  0.66728548  0.39225285  1.0
  S  S9  1  0.66728548  0.66755162  0.60774715  1.0
  S  S10  1  0.00026514  0.66755162  0.89225285  1.0
  S  S11  1  0.66728548  0.99973486  0.89225285  1.0
  S  S12  1  0.66755162  0.00026514  0.10774715  1.0
  S  S13  1  0.33271452  0.00026514  0.39225285  1.0
  S  S14  1  0.00026514  0.33271452  0.60774715  1.0
  S  S15  1  0.33244838  0.99973486  0.60774715  1.0
  S  S16  1  0.99973486  0.66728548  0.10774715  1.0
  S  S17  1  0.33244838  0.33271452  0.89225285  1.0
  S  S18  1  0.99973486  0.33244838  0.39225285  1.0
  S  S19  1  0.33271452  0.33244838  0.10774715  1.0