data_[Pr4Ag8Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0804]
_cell_length_b [11.6034]
_cell_length_c [7.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrAg2SbS4]
_chemical_formula_sum '[Pr4 Ag8 Sb4 S16]'
_cell_volume [731.2779]
_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
[
  Pr  Pr0  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag1  4  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.5000  1.0
  Sb  Sb3  4  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.0056  0.2384  0.4991  1.0
  S  S5  8  0.2480  0.0020  0.9911  1.0
]