data_[Pr3Tl1Ag8]
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 [P3m1]
_cell_length_a [5.8056]
_cell_length_b [5.8056]
_cell_length_c [9.3475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr3TlAg8]
_chemical_formula_sum '[Pr3 Tl1 Ag8]'
_cell_volume [272.8452]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0811  1.0
  Pr  Pr1  1  0.6667  0.3333  0.5474  1.0
  Pr  Pr2  1  0.6667  0.3333  0.9326  1.0
  Tl  Tl3  1  0.0000  0.0000  0.4509  1.0
  Ag  Ag4  3  0.1649  0.3299  0.7511  1.0
  Ag  Ag5  3  0.5013  0.0027  0.2464  1.0
  Ag  Ag6  1  0.3333  0.6667  0.4975  1.0
  Ag  Ag7  1  0.3333  0.6667  0.9978  1.0
]