# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44577200
_cell_length_b   5.94043300
_cell_length_c   11.40619059
_cell_angle_alpha   89.31860956
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb1 Cr3 Cu2 S8'
_cell_volume   233.46111290
_cell_formula_units_Z   1
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  0.50000000  0.54104200  0.25498300  1.0
  Cr  Cr1  1  0.00000000  0.02052700  0.76052800  1.0
  Cr  Cr2  1  0.00000000  0.95943400  0.24284600  1.0
  Cr  Cr3  1  0.50000000  0.48129100  0.74027800  1.0
  Cu  Cu4  1  0.50000000  0.50112700  0.99760900  1.0
  Cu  Cu5  1  0.00000000  0.00699600  0.50579600  1.0
  S  S6  1  0.50000000  0.17169700  0.87463200  1.0
  S  S7  1  0.50000000  0.84382200  0.11263300  1.0
  S  S8  1  0.00000000  0.67069300  0.39031500  1.0
  S  S9  1  0.00000000  0.33290900  0.62447800  1.0
  S  S10  1  0.00000000  0.65858800  0.85897900  1.0
  S  S11  1  0.00000000  0.32287200  0.13648000  1.0
  S  S12  1  0.50000000  0.14581600  0.35661300  1.0
  S  S13  1  0.50000000  0.84318500  0.64382800  1.0