data_[Pr12Tl12Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7208]
_cell_length_b [4.7473]
_cell_length_c [15.6379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Tl3Zn]
_chemical_formula_sum '[Pr12 Tl12 Zn4]'
_cell_volume [820.0201]
_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
[
  Pr  Pr0  4  0.0376  0.5000  0.3856  1
  Pr  Pr1  4  0.0962  0.5000  0.9191  1
  Pr  Pr2  4  0.2415  0.5000  0.2272  1
  Tl  Tl3  4  0.0257  0.0000  0.2363  1
  Tl  Tl4  4  0.1252  0.0000  0.0747  1
  Tl  Tl5  4  0.1431  0.0000  0.5420  1
  Zn  Zn6  4  0.2428  0.0000  0.3840  1
]