# generated using pymatgen
data_Nb4Ni(CS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31963800
_cell_length_b   5.73554200
_cell_length_c   8.65640365
_cell_angle_alpha   77.75618089
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ni(CS2)2
_chemical_formula_sum   'Nb4 Ni1 C2 S4'
_cell_volume   161.06832529
_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  0.63081400  0.63700300  1.0
  Nb  Nb1  1  0.00000000  0.11521100  0.63713900  1.0
  Nb  Nb2  1  0.50000000  0.36918600  0.36299700  1.0
  Nb  Nb3  1  0.00000000  0.88478900  0.36286100  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  C  C5  1  0.00000000  0.50000000  0.50000000  1.0
  C  C6  1  0.50000000  0.00000000  0.50000000  1.0
  S  S7  1  0.50000000  0.77617700  0.16334800  1.0
  S  S8  1  0.00000000  0.27744300  0.16527900  1.0
  S  S9  1  0.50000000  0.22382300  0.83665200  1.0
  S  S10  1  0.00000000  0.72255700  0.83472100  1.0