data_[Pr4Ag4Pb4S12]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0109]
_cell_length_b [4.0559]
_cell_length_c [8.4042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAgPbS3]
_chemical_formula_sum '[Pr4 Ag4 Pb4 S12]'
_cell_volume [595.6337]
_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  0.1636  0.0000  0.5911  1
  Ag  Ag1  4  0.0257  0.5000  0.7119  1
  Pb  Pb2  4  0.1300  0.0000  0.0723  1
  S  S3  4  0.1725  0.5000  0.3530  1
  S  S4  4  0.1775  0.5000  0.8326  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]