data_[Pr1Tl1Ag2I6]
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 [P312]
_cell_length_a [8.2346]
_cell_length_b [8.2346]
_cell_length_c [18.8171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [PrTl(AgI3)2]
_chemical_formula_sum '[Pr1 Tl1 Ag2 I6]'
_cell_volume [1105.0251]
_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  0.6667  0.3333  0.5000  1
  Tl  Tl1  1  0.3333  0.6667  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.4188  1
  I  I3  6  0.3520  0.0341  0.6014  1
]