# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34435052
_cell_length_b   7.29289521
_cell_length_c   12.06863817
_cell_angle_alpha   82.43275985
_cell_angle_beta   85.17306596
_cell_angle_gamma   90.59975394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb2 Cr6 Cu4 S16'
_cell_volume   551.44246139
_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  0.14439300  0.70345900  0.69893800  1.0
  Nb  Nb1  1  0.85560700  0.29654100  0.30106200  1.0
  Cr  Cr2  1  0.24474600  0.88166800  0.00154300  1.0
  Cr  Cr3  1  0.75525400  0.11833200  0.99845700  1.0
  Cr  Cr4  1  0.36808400  0.55759800  0.29195000  1.0
  Cr  Cr5  1  0.63191600  0.44240200  0.70805000  1.0
  Cr  Cr6  1  0.36750900  0.04605200  0.29533600  1.0
  Cr  Cr7  1  0.63249100  0.95394800  0.70466400  1.0
  Cu  Cu8  1  0.12167800  0.19891500  0.70991300  1.0
  Cu  Cu9  1  0.87832200  0.80108500  0.29008700  1.0
  Cu  Cu10  1  0.25970400  0.36970500  0.99729900  1.0
  Cu  Cu11  1  0.74029600  0.63029500  0.00270100  1.0
  S  S12  1  0.10621200  0.65375900  0.89119100  1.0
  S  S13  1  0.89378800  0.34624100  0.10880900  1.0
  S  S14  1  0.09909100  0.14598100  0.90080700  1.0
  S  S15  1  0.90090900  0.85401900  0.09919300  1.0
  S  S16  1  0.19275700  0.78113400  0.36538400  1.0
  S  S17  1  0.80724300  0.21886600  0.63461600  1.0
  S  S18  1  0.19560000  0.28614800  0.36819500  1.0
  S  S19  1  0.80440000  0.71385200  0.63180500  1.0
  S  S20  1  0.31437800  0.97947000  0.62709900  1.0
  S  S21  1  0.68562200  0.02053000  0.37290100  1.0
  S  S22  1  0.31617300  0.45611600  0.63053200  1.0
  S  S23  1  0.68382700  0.54388400  0.36946800  1.0
  S  S24  1  0.40798500  0.09493600  0.10587900  1.0
  S  S25  1  0.59201500  0.90506400  0.89412100  1.0
  S  S26  1  0.38881400  0.60360600  0.10510000  1.0
  S  S27  1  0.61118600  0.39639400  0.89490000  1.0