data_[Pr8Sm4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0370]
_cell_length_b [16.7847]
_cell_length_c [12.2662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2SmAgS5]
_chemical_formula_sum '[Pr8 Sm4 Ag4 S20]'
_cell_volume [831.1595]
_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  0.0000  0.3761  0.8028  1.0
  Pr  Pr1  4  0.0000  0.3865  0.1843  1.0
  Sm  Sm2  4  0.0000  0.3083  0.5020  1.0
  Ag  Ag3  4  0.0000  0.0258  0.9725  1.0
  S  S4  4  0.0000  0.0011  0.7763  1.0
  S  S5  4  0.0000  0.1424  0.4994  1.0
  S  S6  4  0.0000  0.1948  0.8401  1.0
  S  S7  4  0.0000  0.2091  0.1621  1.0
  S  S8  4  0.0000  0.4564  0.5845  1.0
]