data_[Na2Pr10Tl12]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3609]
_cell_length_b [16.2174]
_cell_length_c [8.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NaPr5Tl6]
_chemical_formula_sum '[Na2 Pr10 Tl12]'
_cell_volume [721.3944]
_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  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.3320  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3408  0.0000  1.0
  Pr  Pr3  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl4  8  0.0000  0.1650  0.2421  1.0
  Tl  Tl5  4  0.0000  0.5000  0.2456  1.0
]