# generated using pymatgen
data_Ta2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35050436
_cell_length_b   3.35050436
_cell_length_c   12.33979100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiS4
_chemical_formula_sum   'Ta2 Ni1 S4'
_cell_volume   119.96616621
_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  0.00000000  0.00000000  0.26067600  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.73932400  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.50000000  1.0
  S  S3  1  0.33333300  0.66666700  0.86487800  1.0
  S  S4  1  0.66666700  0.33333300  0.13512200  1.0
  S  S5  1  0.66666700  0.33333300  0.38703000  1.0
  S  S6  1  0.33333300  0.66666700  0.61297000  1.0