# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36814737
_cell_length_b   7.31775279
_cell_length_c   12.17509198
_cell_angle_alpha   81.69821935
_cell_angle_beta   85.22742724
_cell_angle_gamma   90.45843762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb2 Cr6 Cu4 S16'
_cell_volume   559.35865724
_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  0.85873500  0.29641200  0.30123300  1.0
  Nb  Nb1  1  0.63010300  0.44588800  0.69961300  1.0
  Cr  Cr2  1  0.15284500  0.70102600  0.70722900  1.0
  Cr  Cr3  1  0.24574500  0.87882900  0.99820300  1.0
  Cr  Cr4  1  0.75631800  0.11665700  0.00038600  1.0
  Cr  Cr5  1  0.36642100  0.56037300  0.29276900  1.0
  Cr  Cr6  1  0.36552500  0.04266400  0.29366100  1.0
  Cr  Cr7  1  0.61682500  0.94769100  0.70589800  1.0
  Cu  Cu8  1  0.13296700  0.19758500  0.70826900  1.0
  Cu  Cu9  1  0.87591900  0.80286500  0.29228600  1.0
  Cu  Cu10  1  0.24968900  0.37490900  0.99701200  1.0
  Cu  Cu11  1  0.74963600  0.63173000  0.00300300  1.0
  S  S12  1  0.10070100  0.65861800  0.89341400  1.0
  S  S13  1  0.89200700  0.34643400  0.10919100  1.0
  S  S14  1  0.09772400  0.14711200  0.89885100  1.0
  S  S15  1  0.90438200  0.85317100  0.10069100  1.0
  S  S16  1  0.19088100  0.78057200  0.36810500  1.0
  S  S17  1  0.81448000  0.21077300  0.62799600  1.0
  S  S18  1  0.19837100  0.28400500  0.36933000  1.0
  S  S19  1  0.82265600  0.72228100  0.63263700  1.0
  S  S20  1  0.30732000  0.96969300  0.63243400  1.0
  S  S21  1  0.68284800  0.02129500  0.37344400  1.0
  S  S22  1  0.30186200  0.46454500  0.62594600  1.0
  S  S23  1  0.68338100  0.54129100  0.37072200  1.0
  S  S24  1  0.40491700  0.09401300  0.10405500  1.0
  S  S25  1  0.59556300  0.90636600  0.89515000  1.0
  S  S26  1  0.39187100  0.60145200  0.10565600  1.0
  S  S27  1  0.61030900  0.40175000  0.89281500  1.0