# generated using pymatgen
data_Nb4NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71279689
_cell_length_b   6.71279447
_cell_length_c   11.99779314
_cell_angle_alpha   90.00001788
_cell_angle_beta   89.99998748
_cell_angle_gamma   119.99959000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4NiS8
_chemical_formula_sum   'Nb8 Ni2 S16'
_cell_volume   468.20996526
_cell_formula_units_Z   2
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  -0.00000011  0.00000027  0.24995512  1.0
  Nb  Nb1  1  0.00000024  0.00000007  0.75004300  1.0
  Nb  Nb2  1  0.50709966  0.01420002  0.24995136  1.0
  Nb  Nb3  1  0.98580015  0.49289952  0.24995134  1.0
  Nb  Nb4  1  0.50710004  0.49290090  0.24995133  1.0
  Nb  Nb5  1  0.49290045  0.98580230  0.75004901  1.0
  Nb  Nb6  1  0.01419806  0.50709871  0.75004906  1.0
  Nb  Nb7  1  0.49290179  0.50709904  0.75004902  1.0
  Ni  Ni8  1  0.00000025  0.00000029  0.49994303  1.0
  Ni  Ni9  1  -0.00000122  -0.00000130  0.00005819  1.0
  S  S10  1  0.33333334  0.66666698  0.88403268  1.0
  S  S11  1  0.66666681  0.33333330  0.11598595  1.0
  S  S12  1  0.66666688  0.33333336  0.38391438  1.0
  S  S13  1  0.33333320  0.66666687  0.61606958  1.0
  S  S14  1  0.83331996  0.66664072  0.87973121  1.0
  S  S15  1  0.33335925  0.16667960  0.87973131  1.0
  S  S16  1  0.83332015  0.16668016  0.87973115  1.0
  S  S17  1  0.16668252  0.33336542  0.12029138  1.0
  S  S18  1  0.66663444  0.83331692  0.12029145  1.0
  S  S19  1  0.16668310  0.83331721  0.12029155  1.0
  S  S20  1  0.16665871  0.33331750  0.37960454  1.0
  S  S21  1  0.66668341  0.83333901  0.37960425  1.0
  S  S22  1  0.16665925  0.83334134  0.37960444  1.0
  S  S23  1  0.83334140  0.66668347  0.62037322  1.0
  S  S24  1  0.33331667  0.16665838  0.62037315  1.0
  S  S25  1  0.83334162  0.16665894  0.62037330  1.0