data_Na2(TaS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.9
_cell_length_b   14.9
_cell_length_c   14.9
_cell_angle_alpha   22.63
_cell_angle_beta   22.63
_cell_angle_gamma   22.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2(TaS2)3
_chemical_formula_sum   'Na4 Ta6 S12'
_cell_volume   429.81
_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
  Na  Na0  1  0.0  0.0  0.64  1.0
  Na  Na1  1  0.0  0.0  0.15  1.0
  Na  Na2  1  0.0  0.0  0.39  1.0
  Na  Na3  1  0.0  0.0  0.91  1.0
  Ta  Ta4  1  0.0  0.0  0.03  1.0
  Ta  Ta5  1  0.0  0.0  0.51  1.0
  Ta  Ta6  1  0.0  0.0  0.0  1.0
  Ta  Ta7  1  0.95  0.0  0.77  1.0
  Ta  Ta8  1  0.02  0.31  0.77  1.0
  Ta  Ta9  1  0.02  0.69  0.77  1.0
  S  S10  1  0.98  0.31  0.07  1.0
  S  S11  1  0.05  0.99  0.07  1.0
  S  S12  1  0.97  0.7  0.07  1.0
  S  S13  1  0.97  0.3  0.47  1.0
  S  S14  1  0.05  0.01  0.47  1.0
  S  S15  1  0.98  0.69  0.47  1.0
  S  S16  1  0.98  0.31  0.22  1.0
  S  S17  1  0.05  1.0  0.22  1.0
  S  S18  1  0.97  0.69  0.22  1.0
  S  S19  1  0.97  0.31  0.33  1.0
  S  S20  1  0.05  0.0  0.33  1.0
  S  S21  1  0.98  0.69  0.33  1.0

data_Na2(TaS2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   14.9
_cell_angle_alpha   78.68
_cell_angle_beta   78.68
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2(TaS2)3
_chemical_formula_sum   'Na4 Ta6 S12'
_cell_volume   429.81
_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
  Na  Na0  1  0.0  0.09  0.91  1.0
  Na  Na1  1  0.0  0.36  0.64  1.0
  Na  Na2  1  0.0  0.61  0.39  1.0
  Na  Na3  1  0.0  0.85  0.15  1.0
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.0  0.23  0.72  1.0
  Ta  Ta6  1  0.0  0.49  0.51  1.0
  Ta  Ta7  1  0.0  0.97  0.03  1.0
  Ta  Ta8  1  0.31  0.23  0.49  1.0
  Ta  Ta9  1  0.69  0.23  0.11  1.0
  S  S10  1  0.0  0.78  0.26  1.0
  S  S11  1  0.01  0.93  0.11  1.0
  S  S12  1  0.3  0.93  0.74  1.0
  S  S13  1  0.31  0.78  0.88  1.0
  S  S14  1  0.31  0.53  0.14  1.0
  S  S15  1  0.31  0.67  0.99  1.0
  S  S16  1  0.69  0.78  0.51  1.0
  S  S17  1  0.69  0.93  0.37  1.0
  S  S18  1  0.69  0.67  0.61  1.0
  S  S19  1  0.7  0.53  0.74  1.0
  S  S20  1  0.99  0.53  0.52  1.0
  S  S21  1  1.0  0.67  0.38  1.0

Na Na Na Na Ta Ta Ta Ta Ta Ta S S S S S S S S S S S S
Na Na Na Na Ta Ta Ta Ta Ta Ta S S S S S S S S S S S S 0 7 - o o 0 13 - o o 0 19 - o o 1 11 o - o 1 8 o o - 1 15 - - o 1 17 o - o 2 20 o o o 2 10 - o o 3 6 o o + 3 18 - - + 4 6 o o o 4 8 o o - 4 21 - - o 5 14 o o o 5 9 o - o 5 16 - o o 6 8 o o - 6 21 - - o 7 12 o - + 7 13 o o o 8 11 o - + 8 15 - o o 9 14 o + o 10 20 + o o 10 16 o o o 11 15 - o o 12 18 o o o 13 19 o o o 14 16 - o o 14 19 - o o 15 21 o o o 15 17 + o o 16 19 o o o 17 20 o + o 18 21 o o o 