data_[Pr8Y8Tl4]
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 [8.6750]
_cell_length_b [9.6456]
_cell_length_c [8.6662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y2Tl]
_chemical_formula_sum '[Pr8 Y8 Tl4]'
_cell_volume [649.3106]
_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  0.1618  0.0000  0.4252  1.0
  Pr  Pr1  4  0.2216  0.5000  0.1149  1.0
  Y  Y2  8  0.0710  0.3162  0.7186  1.0
  Tl  Tl3  4  0.0000  0.1688  0.0000  1.0
]