# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29910345
_cell_length_b   7.29083565
_cell_length_c   12.41578911
_cell_angle_alpha   82.37724197
_cell_angle_beta   85.52299381
_cell_angle_gamma   90.24971093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb2 Cr6 Cu4 S16'
_cell_volume   563.37829449
_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  0.14296800  0.70178300  0.70365000  1.0
  Nb  Nb1  1  0.79512100  0.11264200  0.00267100  1.0
  Cr  Cr2  1  0.84705200  0.29900700  0.29576400  1.0
  Cr  Cr3  1  0.24013300  0.88305200  0.00423800  1.0
  Cr  Cr4  1  0.37105300  0.55043600  0.28672100  1.0
  Cr  Cr5  1  0.63710000  0.43962900  0.71194200  1.0
  Cr  Cr6  1  0.37693000  0.05461500  0.29264100  1.0
  Cr  Cr7  1  0.63544600  0.95572000  0.70976700  1.0
  Cu  Cu8  1  0.11403500  0.19946300  0.70290000  1.0
  Cu  Cu9  1  0.87543000  0.79572100  0.29963800  1.0
  Cu  Cu10  1  0.25124500  0.37210800  0.00151300  1.0
  Cu  Cu11  1  0.73473500  0.62481200  0.00574300  1.0
  S  S12  1  0.10125100  0.65714700  0.89397300  1.0
  S  S13  1  0.88444900  0.35290600  0.11325800  1.0
  S  S14  1  0.11639600  0.15027800  0.89007600  1.0
  S  S15  1  0.90180100  0.83963400  0.11101600  1.0
  S  S16  1  0.20790700  0.78556300  0.35736900  1.0
  S  S17  1  0.79848900  0.21921200  0.62695700  1.0
  S  S18  1  0.18083700  0.28657000  0.35823700  1.0
  S  S19  1  0.80612400  0.71482400  0.63117700  1.0
  S  S20  1  0.31412600  0.97623900  0.62995600  1.0
  S  S21  1  0.68875200  0.03031800  0.36804900  1.0
  S  S22  1  0.31682600  0.45579000  0.63350100  1.0
  S  S23  1  0.68224000  0.53537700  0.36311400  1.0
  S  S24  1  0.40419700  0.09866200  0.10751700  1.0
  S  S25  1  0.58293100  0.90650900  0.89825300  1.0
  S  S26  1  0.38460900  0.60883700  0.10454200  1.0
  S  S27  1  0.60781600  0.39314800  0.89581700  1.0