data_[Pr16Tl4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7270]
_cell_length_b [5.3480]
_cell_length_c [7.0598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Tl2Ag]
_chemical_formula_sum '[Pr16 Tl4 Ag2]'
_cell_volume [720.3052]
_cell_formula_units_Z [2]
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  0.0146  0.0000  0.7712  1
  Pr  Pr1  4  0.0920  0.5000  0.4699  1
  Pr  Pr2  4  0.1549  0.5000  0.9857  1
  Pr  Pr3  4  0.2076  0.0000  0.3119  1
  Tl  Tl4  4  0.1813  0.0000  0.7500  1
  Ag  Ag5  2  0.0000  0.5000  0.0000  1
]