data_[Pr3Tl3Ag6I18]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9850]
_cell_length_b [7.9850]
_cell_length_c [21.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrTl(AgI3)2]
_chemical_formula_sum '[Pr3 Tl3 Ag6 I18]'
_cell_volume [1203.0222]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6743  1.0
  Tl  Tl1  3  0.0000  0.0000  0.1890  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0033  1.0
  Ag  Ag3  3  0.0000  0.0000  0.4921  1.0
  I  I4  9  0.0009  0.6015  0.2490  1.0
  I  I5  9  0.0177  0.3376  0.0779  1.0
]