data_[Na4Pr4Tl4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/c]
_cell_length_a [8.8948]
_cell_length_b [13.2305]
_cell_length_c [10.3156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaPrTlCl5]
_chemical_formula_sum '[Na4 Pr4 Tl4 Cl20]'
_cell_volume [1134.3422]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.3128  0.2500  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.3651  0.7500  1.0
  Cl  Cl3  8  0.1224  0.1841  0.1150  1.0
  Cl  Cl4  8  0.1825  0.4435  0.4423  1.0
  Cl  Cl5  4  0.0000  0.0854  0.7500  1.0
]