data_[Cs3Pr3Tl6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0688]
_cell_length_b [8.0688]
_cell_length_c [20.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsPr(TlCl3)2]
_chemical_formula_sum '[Cs3 Pr3 Tl6 Cl18]'
_cell_volume [1181.7330]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.1925  1
  Pr  Pr1  3  0.0000  0.0000  0.6780  1
  Tl  Tl2  3  0.0000  0.0000  0.4743  1
  Tl  Tl3  3  0.0000  0.0000  0.9851  1
  Cl  Cl4  9  0.0220  0.7474  0.5909  1
  Cl  Cl5  9  0.0248  0.3867  0.4119  1
]