# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40804900
_cell_length_b   3.42410200
_cell_length_c   12.04546600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb2 Cr6 Cu4 S16'
_cell_volume   470.52388836
_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  0.14672800  0.25000000  0.71366300  1.0
  Nb  Nb1  1  0.64672800  0.25000000  0.78633700  1.0
  Cr  Cr2  1  0.11246600  0.25000000  0.07891700  1.0
  Cr  Cr3  1  0.88398700  0.75000000  0.93637300  1.0
  Cr  Cr4  1  0.38398700  0.75000000  0.56362700  1.0
  Cr  Cr5  1  0.61246600  0.25000000  0.42108300  1.0
  Cr  Cr6  1  0.85300900  0.75000000  0.29516600  1.0
  Cr  Cr7  1  0.35300900  0.75000000  0.20483400  1.0
  Cu  Cu8  1  0.11709400  0.75000000  0.41362500  1.0
  Cu  Cu9  1  0.87491300  0.25000000  0.55485000  1.0
  Cu  Cu10  1  0.37491300  0.25000000  0.94515000  1.0
  Cu  Cu11  1  0.61709400  0.75000000  0.08637500  1.0
  S  S12  1  0.03212600  0.75000000  0.61240100  1.0
  S  S13  1  0.97183100  0.25000000  0.38264900  1.0
  S  S14  1  0.47183100  0.25000000  0.11735100  1.0
  S  S15  1  0.53212600  0.75000000  0.88759900  1.0
  S  S16  1  0.02561700  0.25000000  0.88296700  1.0
  S  S17  1  0.97080800  0.75000000  0.11956500  1.0
  S  S18  1  0.47080800  0.75000000  0.38043500  1.0
  S  S19  1  0.52561700  0.25000000  0.61703300  1.0
  S  S20  1  0.21560900  0.25000000  0.24929700  1.0
  S  S21  1  0.79687000  0.75000000  0.74715900  1.0
  S  S22  1  0.29687000  0.75000000  0.75284100  1.0
  S  S23  1  0.71560900  0.25000000  0.25070300  1.0
  S  S24  1  0.24925000  0.75000000  0.03009300  1.0
  S  S25  1  0.74969200  0.25000000  0.97934700  1.0
  S  S26  1  0.24969200  0.25000000  0.52065300  1.0
  S  S27  1  0.74925000  0.75000000  0.46990700  1.0