# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96079091
_cell_length_b   5.92622804
_cell_length_c   5.85035735
_cell_angle_alpha   92.80409790
_cell_angle_beta   89.99623805
_cell_angle_gamma   90.00270695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb1 Cr3 Cu2 S8'
_cell_volume   241.04549686
_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  0.00000000  0.50000000  1.0
  Cr  Cr1  1  0.25008000  0.50002500  0.50000200  1.0
  Cr  Cr2  1  0.74992000  0.49997500  0.49999800  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1.0
  S  S6  1  0.00001200  0.32333500  0.28027300  1.0
  S  S7  1  0.50000600  0.33192200  0.26014800  1.0
  S  S8  1  0.24339000  0.82022300  0.25406700  1.0
  S  S9  1  0.75661700  0.82024300  0.25407400  1.0
  S  S10  1  0.24338300  0.17975700  0.74592600  1.0
  S  S11  1  0.75661000  0.17977700  0.74593300  1.0
  S  S12  1  0.49999400  0.66807800  0.73985200  1.0
  S  S13  1  0.99998800  0.67666500  0.71972700  1.0