# generated using pymatgen
data_Nb2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37588700
_cell_length_b   10.04539800
_cell_length_c   13.51835100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuS4
_chemical_formula_sum   'Nb8 Cu4 S16'
_cell_volume   458.43605646
_cell_formula_units_Z   4
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  0.25000000  0.64238000  0.89921200  1.0
  Nb  Nb1  1  0.75000000  0.35762000  0.10078800  1.0
  Nb  Nb2  1  0.75000000  0.85762000  0.39921200  1.0
  Nb  Nb3  1  0.25000000  0.14238000  0.60078800  1.0
  Nb  Nb4  1  0.25000000  0.98054300  0.08620400  1.0
  Nb  Nb5  1  0.75000000  0.01945700  0.91379600  1.0
  Nb  Nb6  1  0.75000000  0.51945700  0.58620400  1.0
  Nb  Nb7  1  0.25000000  0.48054300  0.41379600  1.0
  Cu  Cu8  1  0.25000000  0.79227500  0.67188400  1.0
  Cu  Cu9  1  0.75000000  0.20772500  0.32811600  1.0
  Cu  Cu10  1  0.75000000  0.70772500  0.17188400  1.0
  Cu  Cu11  1  0.25000000  0.29227500  0.82811600  1.0
  S  S12  1  0.25000000  0.88184300  0.82656300  1.0
  S  S13  1  0.75000000  0.11815700  0.17343700  1.0
  S  S14  1  0.75000000  0.61815700  0.32656300  1.0
  S  S15  1  0.25000000  0.38184300  0.67343700  1.0
  S  S16  1  0.25000000  0.86128100  0.25808700  1.0
  S  S17  1  0.75000000  0.13871900  0.74191300  1.0
  S  S18  1  0.75000000  0.63871900  0.75808700  1.0
  S  S19  1  0.25000000  0.36128100  0.24191300  1.0
  S  S20  1  0.25000000  0.54896100  0.08200000  1.0
  S  S21  1  0.75000000  0.45103900  0.91800000  1.0
  S  S22  1  0.75000000  0.95103900  0.58200000  1.0
  S  S23  1  0.25000000  0.04896100  0.41800000  1.0
  S  S24  1  0.25000000  0.69473800  0.51222200  1.0
  S  S25  1  0.75000000  0.30526200  0.48777800  1.0
  S  S26  1  0.75000000  0.80526200  0.01222200  1.0
  S  S27  1  0.25000000  0.19473800  0.98777800  1.0