data_Ta6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   113.82
_cell_angle_beta   98.48
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6S
_chemical_formula_sum   'Ta12 S2'
_cell_volume   247.44
_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  Ta2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.64  0.0  0.0  1.0
  Ta  Ta4  1  0.92  0.95  0.62  1.0
  Ta  Ta5  1  0.32  0.13  0.68  1.0
  Ta  Ta6  1  0.4  0.99  0.66  1.0
  Ta  Ta7  1  0.41  0.58  0.02  1.0
  Ta  Ta8  1  0.84  0.61  0.99  1.0
  Ta  Ta9  1  0.85  0.92  0.57  1.0
  Ta  Ta10  1  0.28  0.96  0.53  1.0
  Ta  Ta11  1  0.29  0.55  0.89  1.0
  Ta  Ta12  1  0.37  0.41  0.87  1.0
  Ta  Ta13  1  0.77  0.59  0.93  1.0
  S  S0  1  1.0  0.03  0.83  1.0
  S  S1  1  0.69  0.51  0.72  1.0

data_Ta6S
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   113.82
_cell_angle_beta   98.48
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6S
_chemical_formula_sum   'Ta12 S2'
_cell_volume   247.44
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.28  0.96  0.53  1.0
  Ta  Ta2  1  0.29  0.55  0.89  1.0
  Ta  Ta3  1  0.32  0.13  0.68  1.0
  Ta  Ta4  1  0.37  0.41  0.87  1.0
  Ta  Ta5  1  0.4  0.99  0.66  1.0
  Ta  Ta6  1  0.41  0.58  0.02  1.0
  Ta  Ta7  1  0.64  0.0  0.0  1.0
  Ta  Ta8  1  0.77  0.59  0.93  1.0
  Ta  Ta9  1  0.84  0.61  0.99  1.0
  Ta  Ta10  1  0.85  0.92  0.57  1.0
  Ta  Ta11  1  0.92  0.95  0.62  1.0
  S  S12  1  0.69  0.51  0.72  1.0
  S  S13  1  1.0  0.03  0.83  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta S S