# generated using pymatgen
data_Nb3(CuS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38469621
_cell_length_b   3.38469621
_cell_length_c   40.71447600
_cell_angle_alpha   90.00005092
_cell_angle_beta   89.99994908
_cell_angle_gamma   120.00027769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(CuS3)2
_chemical_formula_sum   'Nb6 Cu4 S12'
_cell_volume   403.94073886
_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  0.66665100  0.33334900  0.08332400  1.0
  Nb  Nb1  1  0.66666000  0.33334000  0.42527500  1.0
  Nb  Nb2  1  0.66666900  0.33333100  0.75039800  1.0
  Nb  Nb3  1  0.33335300  0.66664700  0.24156200  1.0
  Nb  Nb4  1  0.33334800  0.66665200  0.58631400  1.0
  Nb  Nb5  1  0.33334200  0.66665800  0.91945500  1.0
  Cu  Cu6  1  0.66666100  0.33333900  0.01224700  1.0
  Cu  Cu7  1  0.66667400  0.33332600  0.35347100  1.0
  Cu  Cu8  1  0.66665000  0.33335000  0.67918700  1.0
  Cu  Cu9  1  0.33336200  0.66663800  0.31330900  1.0
  S  S10  1  0.66668500  0.33331500  0.20375000  1.0
  S  S11  1  0.66668600  0.33331400  0.54893100  1.0
  S  S12  1  0.66667100  0.33332900  0.88209900  1.0
  S  S13  1  0.33332000  0.66668000  0.12079000  1.0
  S  S14  1  0.33332400  0.66667600  0.46309100  1.0
  S  S15  1  0.33333700  0.66666300  0.78793900  1.0
  S  S16  1  0.33330800  0.66669200  0.04371000  1.0
  S  S17  1  0.33332900  0.66667100  0.38632900  1.0
  S  S18  1  0.33332500  0.66667500  0.71079100  1.0
  S  S19  1  0.66668300  0.33331700  0.28046900  1.0
  S  S20  1  0.66668800  0.33331200  0.62487900  1.0
  S  S21  1  0.66667400  0.33332600  0.95801100  1.0