data_Mn(NbS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(NbS2)4
_chemical_formula_sum   'Mn2 Nb8 S16'
_cell_volume   483.62
_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
  Mn  Mn0  1  0.0  0.0  0.18  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.62  0.95  0.26  1.0
  Nb  Nb3  1  0.74  0.88  0.09  1.0
  Nb  Nb4  1  0.36  0.07  0.09  1.0
  Nb  Nb5  1  0.38  0.95  0.26  1.0
  Nb  Nb6  1  0.0  0.0  0.09  1.0
  Nb  Nb7  1  0.0  0.0  0.26  1.0
  Nb  Nb8  1  0.0  0.75  0.26  1.0
  Nb  Nb9  1  0.98  0.88  0.09  1.0
  S  S10  1  0.36  0.94  0.48  1.0
  S  S11  1  0.0  0.88  0.66  1.0
  S  S12  1  0.0  0.88  0.87  1.0
  S  S13  1  0.36  0.94  0.69  1.0
  S  S14  1  0.69  0.98  0.82  1.0
  S  S15  1  0.0  0.95  0.65  1.0
  S  S16  1  0.33  0.85  0.65  1.0
  S  S17  1  0.03  0.98  0.82  1.0
  S  S18  1  0.36  0.87  0.82  1.0
  S  S19  1  0.67  0.85  0.65  1.0
  S  S20  1  0.69  0.98  0.7  1.0
  S  S21  1  0.0  0.95  0.53  1.0
  S  S22  1  0.33  0.85  0.53  1.0
  S  S23  1  0.03  0.98  0.7  1.0
  S  S24  1  0.36  0.87  0.7  1.0
  S  S25  1  0.67  0.85  0.53  1.0

data_Mn(NbS2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(NbS2)4
_chemical_formula_sum   'Mn2 Nb8 S16'
_cell_volume   483.62
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.18  1.0
  Nb  Nb2  1  -0.0  0.75  0.26  1.0
  Nb  Nb3  1  0.0  0.0  0.09  1.0
  Nb  Nb4  1  0.0  0.0  0.26  1.0
  Nb  Nb5  1  0.36  0.07  0.09  1.0
  Nb  Nb6  1  0.38  0.95  0.26  1.0
  Nb  Nb7  1  0.62  0.95  0.26  1.0
  Nb  Nb8  1  0.74  0.88  0.09  1.0
  Nb  Nb9  1  0.98  0.88  0.09  1.0
  S  S10  1  -0.0  0.95  0.53  1.0
  S  S11  1  -0.0  0.95  0.65  1.0
  S  S12  1  -0.0  0.88  0.66  1.0
  S  S13  1  -0.0  0.88  0.87  1.0
  S  S14  1  0.03  0.98  0.7  1.0
  S  S15  1  0.03  0.98  0.82  1.0
  S  S16  1  0.33  0.85  0.53  1.0
  S  S17  1  0.33  0.85  0.65  1.0
  S  S18  1  0.36  0.87  0.7  1.0
  S  S19  1  0.36  0.87  0.82  1.0
  S  S20  1  0.36  0.94  0.48  1.0
  S  S21  1  0.36  0.94  0.69  1.0
  S  S22  1  0.67  0.85  0.53  1.0
  S  S23  1  0.67  0.85  0.65  1.0
  S  S24  1  0.69  0.98  0.7  1.0
  S  S25  1  0.69  0.98  0.82  1.0

Mn Mn Nb Nb Nb Nb Nb Nb Nb Nb S S S S S S S S S S S S S S S S
Mn Mn Nb Nb Nb Nb Nb Nb Nb Nb S S S S S S S S S S S S S S S S 0 6 o o o 0 7 o o o 0 3 - - o 0 4 o o o 0 8 o - o 1 6 o o o 1 3 - - o 1 4 o o o 2 5 o o o 3 6 + + o 3 9 o o o 4 6 o o o 4 9 - - o 4 5 o - o 6 9 - - o 7 8 o - o 10 22 o o o 11 15 o o o 11 21 o o o 11 23 o o o 12 17 o o o 13 24 o o o 13 16 o o o 13 18 o o o 14 20 o o o 15 21 o o o 15 23 o o o 16 24 o o o 18 24 o o o 19 20 o o o 19 25 o o o 