data_[Ag2Sb2Pb4S8]
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 [I4/mmm]
_cell_length_a [5.7585]
_cell_length_b [5.7585]
_cell_length_c [11.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AgSb(PbS2)2]
_chemical_formula_sum '[Ag2 Sb2 Pb4 S8]'
_cell_volume [397.3609]
_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
[
  Ag  Ag0  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.0000  0.5000  0.2500  1.0
  S  S3  4  0.0000  0.0000  0.2748  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]