data_[Ag16Sb48Pb16S96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [19.4615]
_cell_length_b [17.2794]
_cell_length_c [13.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgSb3PbS6]
_chemical_formula_sum '[Ag16 Sb48 Pb16 S96]'
_cell_volume [4458.1684]
_cell_formula_units_Z [16]
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  4  0.1331  0.0672  0.3344  1
  Ag  Ag1  4  0.1431  0.6780  0.8342  1
  Ag  Ag2  4  0.3556  0.5523  0.3254  1
  Ag  Ag3  4  0.3561  0.1863  0.8493  1
  Sb  Sb4  4  0.0442  0.1996  0.1141  1
  Sb  Sb5  4  0.0452  0.0633  0.6188  1
  Sb  Sb6  4  0.0584  0.6718  0.1344  1
  Sb  Sb7  4  0.0607  0.5644  0.6236  1
  Sb  Sb8  4  0.1230  0.1898  0.8464  1
  Sb  Sb9  4  0.1484  0.5671  0.3774  1
  Sb  Sb10  4  0.3635  0.6899  0.8741  1
  Sb  Sb11  4  0.3728  0.0662  0.3527  1
  Sb  Sb12  4  0.4404  0.0792  0.6319  1
  Sb  Sb13  4  0.4461  0.1834  0.1240  1
  Sb  Sb14  4  0.4476  0.6854  0.1253  1
  Sb  Sb15  4  0.4546  0.5529  0.6198  1
  Pb  Pb16  4  0.2434  0.1749  0.5725  1
  Pb  Pb17  4  0.2498  0.6923  0.6025  1
  Pb  Pb18  4  0.2501  0.0626  0.0874  1
  Pb  Pb19  4  0.2562  0.5680  0.0874  1
  S  S20  4  0.0028  0.5905  0.2730  1
  S  S21  4  0.0162  0.6991  0.7919  1
  S  S22  4  0.0941  0.1488  0.4899  1
  S  S23  4  0.0976  0.5577  0.0289  1
  S  S24  4  0.0980  0.0377  0.0013  1
  S  S25  4  0.1064  0.6696  0.5073  1
  S  S26  4  0.1522  0.0763  0.7335  1
  S  S27  4  0.1542  0.2069  0.2184  1
  S  S28  4  0.1633  0.5522  0.7281  1
  S  S29  4  0.1711  0.6868  0.2196  1
  S  S30  4  0.2341  0.1900  0.9345  1
  S  S31  4  0.2445  0.6946  0.9491  1
  S  S32  4  0.2574  0.0552  0.4272  1
  S  S33  4  0.2666  0.5639  0.4581  1
  S  S34  4  0.3285  0.0716  0.7137  1
  S  S35  4  0.3412  0.1790  0.2403  1
  S  S36  4  0.3416  0.6875  0.2274  1
  S  S37  4  0.3442  0.5409  0.7268  1
  S  S38  4  0.3997  0.2003  0.5257  1
  S  S39  4  0.4011  0.0882  0.0027  1
  S  S40  4  0.4029  0.5820  0.0073  1
  S  S41  4  0.4080  0.7116  0.5038  1
  S  S42  4  0.4834  0.5430  0.2786  1
  S  S43  4  0.4959  0.1646  0.7656  1
]