data_[Pr8Nd4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  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 [4.2124]
_cell_length_b [17.7856]
_cell_length_c [12.6551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NdAgSe5]
_chemical_formula_sum '[Pr8 Nd4 Ag4 Se20]'
_cell_volume [948.1197]
_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  0.6851  1.0
  Pr  Pr1  4  0.0000  0.1233  0.3060  1.0
  Nd  Nd2  4  0.0000  0.1959  0.0073  1.0
  Ag  Ag3  4  0.0000  0.4452  0.4609  1.0
  Se  Se4  4  0.0000  0.0438  0.0794  1.0
  Se  Se5  4  0.0000  0.2879  0.6717  1.0
  Se  Se6  4  0.0000  0.3090  0.3405  1.0
  Se  Se7  4  0.0000  0.3622  0.9999  1.0
  Se  Se8  4  0.0000  0.4983  0.7731  1.0
]