# generated using pymatgen
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94471312
_cell_length_b   6.94471312
_cell_length_c   6.95660831
_cell_angle_alpha   61.52767248
_cell_angle_beta   61.52767248
_cell_angle_gamma   61.57176729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3(CuS4)2
_chemical_formula_sum   'Nb1 Cr3 Cu2 S8'
_cell_volume   245.45309378
_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  0.39879200  0.60120800  0.00000000  1.0
  Cr  Cr1  1  0.36925200  0.63074800  0.50000000  1.0
  Cr  Cr2  1  0.86328200  0.63102600  0.99613200  1.0
  Cr  Cr3  1  0.36897400  0.13671800  0.00386800  1.0
  Cu  Cu4  1  0.01174700  0.24240700  0.62280100  1.0
  Cu  Cu5  1  0.75759300  0.98825300  0.37719900  1.0
  S  S6  1  0.61340300  0.86888700  0.24002800  1.0
  S  S7  1  0.62202100  0.38235600  0.25762100  1.0
  S  S8  1  0.60897400  0.88527200  0.76844100  1.0
  S  S9  1  0.14812200  0.87564600  0.24205100  1.0
  S  S10  1  0.13111300  0.38659700  0.75997200  1.0
  S  S11  1  0.61764400  0.37797900  0.74237900  1.0
  S  S12  1  0.11472800  0.39102600  0.23155900  1.0
  S  S13  1  0.12435400  0.85187800  0.75794900  1.0