data_[Pr8Nd4Ag4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4477]
_cell_length_b [19.1877]
_cell_length_c [13.4456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NdAgTe5]
_chemical_formula_sum '[Pr8 Nd4 Ag4 Te20]'
_cell_volume [1147.4771]
_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  0.1108  0.6855  1.0
  Pr  Pr1  4  0.0000  0.1243  0.3059  1.0
  Nd  Nd2  4  0.0000  0.1934  0.0081  1.0
  Ag  Ag3  4  0.0000  0.4332  0.4603  1.0
  Te  Te4  4  0.0000  0.0415  0.0764  1.0
  Te  Te5  4  0.0000  0.2872  0.6728  1.0
  Te  Te6  4  0.0000  0.3092  0.3375  1.0
  Te  Te7  4  0.0000  0.3602  0.9989  1.0
  Te  Te8  4  0.0000  0.4989  0.7784  1.0
]