# generated using pymatgen
data_Ta2NiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42960010
_cell_length_b   6.56311149
_cell_length_c   15.16226375
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.14594307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiS5
_chemical_formula_sum   'Ta4 Ni2 S10'
_cell_volume   329.43001519
_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
  Ta  Ta0  1  0.22176043  0.44352086  0.60897353  1.0
  Ta  Ta1  1  0.77823957  0.55647914  0.39102647  1.0
  Ta  Ta2  1  0.77823957  0.55647914  0.10897353  1.0
  Ta  Ta3  1  0.22176043  0.44352086  0.89102647  1.0
  Ni  Ni4  1  0.30084061  0.60168021  0.25000000  1.0
  Ni  Ni5  1  0.69915939  0.39831979  0.75000000  1.0
  S  S6  1  0.68615525  0.37230949  0.25000000  1.0
  S  S7  1  0.31384475  0.62769051  0.75000000  1.0
  S  S8  1  0.15330358  0.30660716  0.44992218  1.0
  S  S9  1  0.84669642  0.69339284  0.55007782  1.0
  S  S10  1  0.84669642  0.69339284  0.94992218  1.0
  S  S11  1  0.15330358  0.30660716  0.05007782  1.0
  S  S12  1  0.59038296  0.18076392  0.86386690  1.0
  S  S13  1  0.40961704  0.81923608  0.13613310  1.0
  S  S14  1  0.40961704  0.81923608  0.36386690  1.0
  S  S15  1  0.59038296  0.18076392  0.63613310  1.0