# generated using pymatgen
data_Nb3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67466317
_cell_length_b   9.67466519
_cell_length_c   3.40989076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3S4
_chemical_formula_sum   'Nb6 S8'
_cell_volume   276.40309124
_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  0.51483784  0.88793127  0.75000000  1.0
  Nb  Nb1  1  0.62690658  0.51483784  0.25000000  1.0
  Nb  Nb2  1  0.88793127  0.37309342  0.25000000  1.0
  Nb  Nb3  1  0.11206873  0.62690658  0.75000000  1.0
  Nb  Nb4  1  0.37309342  0.48516216  0.75000000  1.0
  Nb  Nb5  1  0.48516216  0.11206873  0.25000000  1.0
  S  S6  1  0.65388580  0.71154077  0.75000000  1.0
  S  S7  1  0.94234603  0.65388580  0.25000000  1.0
  S  S8  1  0.71154077  0.05765397  0.25000000  1.0
  S  S9  1  0.28845923  0.94234603  0.75000000  1.0
  S  S10  1  0.05765397  0.34611420  0.75000000  1.0
  S  S11  1  0.34611420  0.28845923  0.25000000  1.0
  S  S12  1  0.33333300  0.66666700  0.25000000  1.0
  S  S13  1  0.66666700  0.33333300  0.75000000  1.0