# generated using pymatgen
data_K2(TaS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.14856632
_cell_length_b   16.14856632
_cell_length_c   16.14856585
_cell_angle_alpha   20.97428313
_cell_angle_beta   20.97428313
_cell_angle_gamma   20.97428207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2(TaS2)3
_chemical_formula_sum   'K4 Ta6 S12'
_cell_volume   472.49360829
_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
  K  K0  1  0.91628230  0.91628230  0.91628230  1.0
  K  K1  1  0.58284830  0.58284830  0.58284830  1.0
  K  K2  1  0.41715170  0.41715170  0.41715170  1.0
  K  K3  1  0.08371770  0.08371770  0.08371770  1.0
  Ta  Ta4  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ta  Ta5  1  0.33341107  0.33341107  0.33341107  1.0
  Ta  Ta6  1  0.66658893  0.66658893  0.66658893  1.0
  Ta  Ta7  1  0.83095227  0.16904773  0.50000000  1.0
  Ta  Ta8  1  0.50000000  0.83095227  0.16904773  1.0
  Ta  Ta9  1  0.16904773  0.50000000  0.83095227  1.0
  S  S10  1  0.86896760  0.53032661  0.19768968  1.0
  S  S11  1  0.19768968  0.86896760  0.53032661  1.0
  S  S12  1  0.53032661  0.19768968  0.86896760  1.0
  S  S13  1  0.80231032  0.46967339  0.13103240  1.0
  S  S14  1  0.13103240  0.80231032  0.46967339  1.0
  S  S15  1  0.46967339  0.13103240  0.80231032  1.0
  S  S16  1  0.96948036  0.63257823  0.30074332  1.0
  S  S17  1  0.30074332  0.96948036  0.63257823  1.0
  S  S18  1  0.63257823  0.30074332  0.96948036  1.0
  S  S19  1  0.69925668  0.36742177  0.03051964  1.0
  S  S20  1  0.03051964  0.69925668  0.36742177  1.0
  S  S21  1  0.36742177  0.03051964  0.69925668  1.0