# generated using pymatgen
data_Ti4NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39006483
_cell_length_b   6.83172268
_cell_length_c   8.16622350
_cell_angle_alpha   90.00000000
_cell_angle_beta   133.77479070
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4NiS8
_chemical_formula_sum   'Ti8 Ni2 S16'
_cell_volume   458.83210158
_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
  Ti  Ti0  1  0.00000000  0.25539200  0.50000000  1
  Ti  Ti1  1  0.50000000  0.24460800  0.50000000  1
  Ti  Ti2  1  0.26006200  0.00000000  0.00587900  1
  Ti  Ti3  1  0.23993800  0.50000000  0.99412100  1
  Ti  Ti4  1  0.50000000  0.75539200  0.50000000  1
  Ti  Ti5  1  0.00000000  0.74460800  0.50000000  1
  Ti  Ti6  1  0.76006200  0.50000000  0.00587900  1
  Ti  Ti7  1  0.73993800  0.00000000  0.99412100  1
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.00000000  1
  S  S10  1  0.96357100  0.00000000  0.67346700  1
  S  S11  1  0.53642900  0.50000000  0.32653300  1
  S  S12  1  0.95419200  0.50000000  0.66556800  1
  S  S13  1  0.54580800  0.00000000  0.33443200  1
  S  S14  1  0.79476400  0.24463600  0.83382500  1
  S  S15  1  0.79476400  0.75536400  0.83382500  1
  S  S16  1  0.70523600  0.25536400  0.16617500  1
  S  S17  1  0.70523600  0.74463600  0.16617500  1
  S  S18  1  0.46357100  0.50000000  0.67346700  1
  S  S19  1  0.03642900  0.00000000  0.32653300  1
  S  S20  1  0.45419200  0.00000000  0.66556800  1
  S  S21  1  0.04580800  0.50000000  0.33443200  1
  S  S22  1  0.29476400  0.74463600  0.83382500  1
  S  S23  1  0.29476400  0.25536400  0.83382500  1
  S  S24  1  0.20523600  0.75536400  0.16617500  1
  S  S25  1  0.20523600  0.24463600  0.16617500  1
