data_AgAsPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   12.72
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsPbS3
_chemical_formula_sum   'Ag4 As4 Pb4 S12'
_cell_volume   587.89
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.09  0.71  0.62  1.0
  Ag  Ag1  1  0.15  0.36  0.84  1.0
  Ag  Ag2  1  0.84  0.36  0.72  1.0
  Ag  Ag3  1  0.9  0.0  0.94  1.0
  As  As4  1  0.42  0.5  0.64  1.0
  As  As5  1  0.57  0.22  0.92  1.0
  As  As6  1  0.35  0.58  0.41  1.0
  As  As7  1  0.64  0.14  0.14  1.0
  Pb  Pb8  1  0.47  0.47  0.61  1.0
  Pb  Pb9  1  0.58  0.11  0.16  1.0
  Pb  Pb10  1  0.52  0.25  0.94  1.0
  Pb  Pb11  1  0.41  0.61  0.39  1.0
  S  S12  1  0.32  0.74  0.03  1.0
  S  S13  1  0.6  0.1  0.3  1.0
  S  S14  1  0.66  0.98  0.52  1.0
  S  S15  1  0.39  0.62  0.25  1.0
  S  S16  1  0.44  0.65  0.96  1.0
  S  S17  1  0.49  0.0  0.38  1.0
  S  S18  1  0.55  0.07  0.6  1.0
  S  S19  1  0.76  0.94  0.08  1.0
  S  S20  1  0.69  0.14  0.86  1.0
  S  S21  1  0.23  0.78  0.48  1.0
  S  S22  1  0.3  0.58  0.7  1.0
  S  S23  1  0.5  0.71  0.18  1.0

data_AgAsPbS3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.12
_cell_length_b   7.56
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgAsPbS3
_chemical_formula_sum   'Ag4 As4 Pb4 S12'
_cell_volume   587.89
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.09  0.84  0.86  1.0
  Ag  Ag1  2  0.16  0.06  0.5  1.0
  As  As2  2  0.36  0.64  0.72  1.0
  As  As3  2  0.42  0.86  0.64  1.0
  Pb  Pb4  2  0.41  0.61  0.75  1.0
  Pb  Pb5  2  0.48  0.84  0.61  1.0
  S  S6  2  0.24  0.7  0.92  1.0
  S  S7  2  0.3  0.92  0.72  1.0
  S  S8  2  0.33  0.25  0.88  1.0
  S  S9  2  0.4  0.48  0.76  1.0
  S  S10  2  0.44  0.18  0.79  1.0
  S  S11  2  0.49  0.6  0.15  1.0

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