data_[Na2Pr2Tl4Cl12]
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 [P2_1/c]
_cell_length_a [7.4722]
_cell_length_b [7.8550]
_cell_length_c [13.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaPr(TlCl3)2]
_chemical_formula_sum '[Na2 Pr2 Tl4 Cl12]'
_cell_volume [630.9360]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2763  0.0693  0.2540  1.0
  Cl  Cl3  4  0.1428  0.0310  0.7477  1.0
  Cl  Cl4  4  0.2461  0.7067  0.5545  1.0
  Cl  Cl5  4  0.3504  0.1943  0.5494  1.0
]