data_Nb6ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68
_cell_length_b   9.68
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6ZnS8
_chemical_formula_sum   'Nb6 Zn1 S8'
_cell_volume   274.96
_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
  Nb  Nb0  1  0.07  0.27  0.54  1.0
  Nb  Nb1  1  0.69  0.42  0.54  1.0
  Nb  Nb2  1  0.24  0.08  0.54  1.0
  Nb  Nb3  1  0.77  0.12  0.85  1.0
  Nb  Nb4  1  0.15  0.96  0.85  1.0
  Nb  Nb5  1  0.59  0.31  0.85  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  S  S7  1  0.84  0.79  0.54  1.0
  S  S8  1  0.0  0.59  0.85  1.0
  S  S9  1  0.22  0.91  0.54  1.0
  S  S10  1  0.9  0.97  0.54  1.0
  S  S11  1  0.88  0.89  0.54  1.0
  S  S12  1  0.62  0.48  0.84  1.0
  S  S13  1  0.94  0.41  0.84  1.0
  S  S14  1  0.96  0.49  0.84  1.0

data_Nb6ZnS8
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6ZnS8
_chemical_formula_sum   'Nb6 Zn1 S8'
_cell_volume   274.96
_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
  Nb  Nb0  1  0.54  0.07  0.27  1.0
  Nb  Nb1  1  0.54  0.24  0.08  1.0
  Nb  Nb2  1  0.54  0.69  0.42  1.0
  Nb  Nb3  1  0.85  0.15  0.96  1.0
  Nb  Nb4  1  0.85  0.59  0.31  1.0
  Nb  Nb5  1  0.85  0.77  0.12  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  S  S7  1  0.54  0.84  0.79  1.0
  S  S8  1  0.54  0.22  0.91  1.0
  S  S9  1  0.54  0.88  0.89  1.0
  S  S10  1  0.54  0.9  0.97  1.0
  S  S11  1  0.84  0.62  0.48  1.0
  S  S12  1  0.84  0.94  0.41  1.0
  S  S13  1  0.84  0.96  0.49  1.0
  S  S14  1  0.85  -0.0  0.59  1.0

Nb Nb Nb Nb Nb Nb Zn S S S S S S S S
Nb Nb Nb Nb Nb Nb Zn S S S S S S S S 0 3 - o o 0 10 - - o 0 14 - o o 0 13 - o o 0 6 o o o 0 6 o o + 0 2 o o o 0 11 - - o 1 5 o o o 1 12 o o o 2 4 o - o 2 9 o - o 3 14 o o o 3 5 o o o 3 11 o - o 3 10 o - o 3 6 + o + 3 13 o o o 4 9 o o o 4 6 o + + 5 12 o o o 6 11 - - - 6 11 - - o 6 10 - - - 6 10 - - o 7 11 o o o 8 14 - o o 10 11 o o o 13 14 o o o 