data_[Ce4Pr8Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2056]
_cell_length_b [17.6743]
_cell_length_c [12.6999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CePr2AgSe5]
_chemical_formula_sum '[Ce4 Pr8 Ag4 Se20]'
_cell_volume [944.0012]
_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
[
  Ce  Ce0  4  0.0000  0.1967  0.0077  1.0
  Pr  Pr1  4  0.0000  0.1115  0.6855  1.0
  Pr  Pr2  4  0.0000  0.1240  0.3068  1.0
  Ag  Ag3  4  0.0000  0.4506  0.4605  1.0
  Se  Se4  4  0.0000  0.0449  0.0788  1.0
  Se  Se5  4  0.0000  0.2893  0.6705  1.0
  Se  Se6  4  0.0000  0.3088  0.3427  1.0
  Se  Se7  4  0.0000  0.3624  0.0004  1.0
  Se  Se8  4  0.0000  0.4978  0.7711  1.0
]