data_[Pr16Y2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1223]
_cell_length_b [15.7126]
_cell_length_c [5.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8YTl2]
_chemical_formula_sum '[Pr16 Y2 Tl4]'
_cell_volume [766.1287]
_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
[
  Pr  Pr0  8  0.2053  0.8873  0.1142  1
  Pr  Pr1  4  0.0000  0.2205  0.5000  1
  Pr  Pr2  4  0.0958  0.5000  0.2959  1
  Y  Y3  2  0.0000  0.0000  0.5000  1
  Tl  Tl4  4  0.0000  0.3056  0.0000  1
]