data_[Pr4Nd8Ag4Se20]
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 [4.2016]
_cell_length_b [17.7526]
_cell_length_c [12.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrNd2AgSe5]
_chemical_formula_sum '[Pr4 Nd8 Ag4 Se20]'
_cell_volume [943.2501]
_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  0.1960  0.0067  1.0
  Nd  Nd1  4  0.0000  0.1100  0.6848  1.0
  Nd  Nd2  4  0.0000  0.1227  0.3052  1.0
  Ag  Ag3  4  0.0000  0.4462  0.4616  1.0
  Se  Se4  4  0.0000  0.0431  0.0807  1.0
  Se  Se5  4  0.0000  0.2882  0.6735  1.0
  Se  Se6  4  0.0000  0.3102  0.3382  1.0
  Se  Se7  4  0.0000  0.3633  1.0000  1.0
  Se  Se8  4  0.0000  0.4982  0.7733  1.0
]