data_[Pr8Ho4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  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 [4.0114]
_cell_length_b [16.7478]
_cell_length_c [12.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2HoAgS5]
_chemical_formula_sum '[Pr8 Ho4 Ag4 S20]'
_cell_volume [813.6970]
_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  0.1103  0.6851  1.0
  Pr  Pr1  4  0.0000  0.1260  0.3044  1.0
  Ho  Ho2  4  0.0000  0.1959  0.0064  1.0
  Ag  Ag3  4  0.0000  0.4591  0.4645  1.0
  S  S4  4  0.0000  0.0481  0.0808  1.0
  S  S5  4  0.0000  0.2870  0.6624  1.0
  S  S6  4  0.0000  0.3061  0.3480  1.0
  S  S7  4  0.0000  0.3580  0.9998  1.0
  S  S8  4  0.0000  0.4982  0.7724  1.0
]