data_[Pr8Y4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  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 [4.1760]
_cell_length_b [17.6341]
_cell_length_c [12.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2YAgSe5]
_chemical_formula_sum '[Pr8 Y4 Ag4 Se20]'
_cell_volume [925.3638]
_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  0.1102  0.6859  1.0
  Pr  Pr1  4  0.0000  0.1251  0.3060  1.0
  Y  Y2  4  0.0000  0.1957  0.0090  1.0
  Ag  Ag3  4  0.0000  0.4431  0.4591  1.0
  Se  Se4  4  0.0000  0.0461  0.0784  1.0
  Se  Se5  4  0.0000  0.2863  0.6672  1.0
  Se  Se6  4  0.0000  0.3059  0.3457  1.0
  Se  Se7  4  0.0000  0.3590  0.0001  1.0
  Se  Se8  4  0.0000  0.4978  0.7726  1.0
]