data_[Pr6Y8Tl8]
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 [Immm]
_cell_length_a [3.8695]
_cell_length_b [9.9020]
_cell_length_c [18.2134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(YTl)4]
_chemical_formula_sum '[Pr6 Y8 Tl8]'
_cell_volume [697.8587]
_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  4  0.0000  0.0000  0.1029  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Y  Y2  8  0.0000  0.1996  0.3324  1.0
  Tl  Tl3  4  0.0000  0.2793  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2526  1.0
]