data_K3Nb2Ag3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.86
_cell_length_b   12.86
_cell_length_c   14.43
_cell_angle_alpha   119.16
_cell_angle_beta   119.16
_cell_angle_gamma   26.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Nb2Ag3S8
_chemical_formula_sum   'K6 Nb4 Ag6 S16'
_cell_volume   934.0
_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  0.07  0.65  0.5  1.0
  K  K1  1  0.73  0.35  0.99  1.0
  K  K2  1  0.68  0.35  0.26  1.0
  K  K3  1  0.39  0.0  0.24  1.0
  K  K4  1  0.11  0.65  0.23  1.0
  K  K5  1  0.0  0.0  0.0  1.0
  Nb  Nb6  1  0.72  0.71  0.76  1.0
  Nb  Nb7  1  0.08  0.29  0.73  1.0
  Nb  Nb8  1  0.1  0.29  0.0  1.0
  Nb  Nb9  1  0.69  0.71  0.49  1.0
  Ag  Ag10  1  0.7  0.7  0.12  1.0
  Ag  Ag11  1  0.09  0.3  0.37  1.0
  Ag  Ag12  1  0.78  0.7  0.68  1.0
  Ag  Ag13  1  0.63  0.7  0.56  1.0
  Ag  Ag14  1  0.01  0.3  0.81  1.0
  Ag  Ag15  1  0.17  0.3  0.93  1.0
  S  S16  1  0.94  0.99  0.16  1.0
  S  S17  1  0.02  0.65  0.54  1.0
  S  S18  1  0.83  0.0  0.59  1.0
  S  S19  1  0.72  0.45  0.45  1.0
  S  S20  1  0.08  0.55  0.04  1.0
  S  S21  1  0.24  0.99  0.58  1.0
  S  S22  1  0.1  0.55  0.69  1.0
  S  S23  1  0.85  0.01  0.33  1.0
  S  S24  1  0.69  0.45  0.8  1.0
  S  S25  1  0.45  1.0  0.35  1.0
  S  S26  1  0.35  0.0  0.14  1.0
  S  S27  1  0.96  1.0  0.9  1.0
  S  S28  1  0.17  0.65  0.19  1.0
  S  S29  1  0.78  0.35  0.95  1.0
  S  S30  1  0.56  0.01  0.91  1.0
  S  S31  1  0.63  0.35  0.29  1.0

data_K3Nb2Ag3S8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.98
_cell_length_b   12.86
_cell_length_c   13.89
_cell_angle_alpha   65.16
_cell_angle_beta   77.57
_cell_angle_gamma   76.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Nb2Ag3S8
_chemical_formula_sum   'K6 Nb4 Ag6 S16'
_cell_volume   934.0
_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  0.0  0.0  0.0  1.0
  K  K1  1  0.0  0.14  0.24  1.0
  K  K2  1  0.35  0.22  0.5  1.0
  K  K3  1  0.35  0.53  0.23  1.0
  K  K4  1  0.65  0.78  0.26  1.0
  K  K5  1  0.65  0.08  0.99  1.0
  Nb  Nb6  1  0.29  0.67  0.76  1.0
  Nb  Nb7  1  0.29  0.91  0.49  1.0
  Nb  Nb8  1  0.71  0.39  0.0  1.0
  Nb  Nb9  1  0.71  0.64  0.73  1.0
  Ag  Ag10  1  0.3  0.29  0.12  1.0
  Ag  Ag11  1  0.3  0.76  0.56  1.0
  Ag  Ag12  1  0.3  0.8  0.68  1.0
  Ag  Ag13  1  0.7  0.51  0.81  1.0
  Ag  Ag14  1  0.7  0.54  0.93  1.0
  Ag  Ag15  1  0.7  0.02  0.37  1.0
  S  S16  1  0.0  0.09  0.35  1.0
  S  S17  1  0.0  0.07  0.9  1.0
  S  S18  1  0.01  0.66  0.58  1.0
  S  S19  1  0.01  0.78  0.16  1.0
  S  S20  1  0.35  0.12  0.54  1.0
  S  S21  1  0.35  0.62  0.19  1.0
  S  S22  1  0.45  0.59  0.04  1.0
  S  S23  1  0.45  0.96  0.69  1.0
  S  S24  1  0.55  0.72  0.45  1.0
  S  S25  1  0.55  0.35  0.8  1.0
  S  S26  1  0.65  0.18  0.95  1.0
  S  S27  1  0.65  0.69  0.29  1.0
  S  S28  1  0.99  0.53  0.33  1.0
  S  S29  1  0.99  0.65  0.91  1.0
  S  S30  1  1.0  0.21  0.14  1.0
  S  S31  1  1.0  0.24  0.59  1.0

K K K K K K Nb Nb Nb Nb Ag Ag Ag Ag Ag Ag S S S S S S S S S S S S S S S S