# generated using pymatgen
data_NbSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35555019
_cell_length_b   3.35555175
_cell_length_c   17.50146048
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnS2
_chemical_formula_sum   'Nb2 Sn2 S4'
_cell_volume   170.66032943
_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  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn2  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.50000000  1.0
  S  S4  1  0.00000000  0.00000000  0.33910024  1.0
  S  S5  1  0.00000000  0.00000000  0.83910024  1.0
  S  S6  1  -0.00000000  0.00000000  0.16089976  1.0
  S  S7  1  -0.00000000  0.00000000  0.66089976  1.0