# generated using pymatgen
data_Ta9(NiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14980840
_cell_length_b   10.14980840
_cell_length_c   3.38631625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta9(NiS3)2
_chemical_formula_sum   'Ta9 Ni2 S6'
_cell_volume   302.11609423
_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
  Ta  Ta0  1  0.73718208  0.19878268  0.50000000  1.0
  Ta  Ta1  1  0.80121732  0.53840140  0.50000000  1.0
  Ta  Ta2  1  0.46159860  0.26281792  0.50000000  1.0
  Ta  Ta3  1  0.26281792  0.46159860  0.50000000  1.0
  Ta  Ta4  1  0.53840140  0.80121732  0.50000000  1.0
  Ta  Ta5  1  0.19878268  0.73718208  0.50000000  1.0
  Ta  Ta6  1  -0.00000000  0.45414611  0.00000000  1.0
  Ta  Ta7  1  0.54585389  0.54585389  0.00000000  1.0
  Ta  Ta8  1  0.45414611  -0.00000000  -0.00000000  1.0
  Ni  Ni9  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni10  1  0.33333300  0.66666700  -0.00000000  1.0
  S  S11  1  0.00000000  0.70404651  0.00000000  1.0
  S  S12  1  0.29595349  0.29595349  -0.00000000  1.0
  S  S13  1  0.70404651  0.00000000  0.00000000  1.0
  S  S14  1  -0.00000000  0.27151650  0.50000000  1.0
  S  S15  1  0.72848350  0.72848350  0.50000000  1.0
  S  S16  1  0.27151650  -0.00000000  0.50000000  1.0