# generated using pymatgen
data_Tc(NiS)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02496405
_cell_length_b   7.02496476
_cell_length_c   7.02496454
_cell_angle_alpha   89.99843140
_cell_angle_beta   60.00921892
_cell_angle_gamma   120.00741648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc(NiS)8
_chemical_formula_sum   'Tc1 Ni8 S8'
_cell_volume   245.14513149
_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
  Tc  Tc0  1  1.00000000  0.50006887  0.49993113  1.0
  Ni  Ni1  1  0.25147113  0.12580484  0.62272303  1.0
  Ni  Ni2  1  0.74852887  0.12580484  0.12566629  1.0
  Ni  Ni3  1  0.74807844  0.62216074  0.12591770  1.0
  Ni  Ni4  1  0.25192156  0.12600485  0.12591770  1.0
  Ni  Ni5  1  0.74838351  0.87419389  0.37742160  1.0
  Ni  Ni6  1  0.25161649  0.87419389  0.87418862  1.0
  Ni  Ni7  1  0.25175385  0.37764002  0.87411583  1.0
  Ni  Ni8  1  0.74824615  0.87413031  0.87411583  1.0
  S  S9  1  0.52097983  0.26057802  0.73958233  1.0
  S  S10  1  0.99983865  0.73943685  0.73958233  1.0
  S  S11  1  1.00000000  0.26056493  0.73943507  1.0
  S  S12  1  0.47902017  0.73943685  0.26040180  1.0
  S  S13  1  0.00016135  0.26057802  0.26040180  1.0
  S  S14  1  0.00000000  0.73957165  0.26042835  1.0
  S  S15  1  0.50000000  0.24971637  0.25028363  1.0
  S  S16  1  0.50000000  0.75011408  0.74988592  1.0