data_[Pr8Dy12Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.2114]
_cell_length_b [16.8757]
_cell_length_c [9.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Dy3Tl4]
_chemical_formula_sum '[Pr8 Dy12 Tl16]'
_cell_volume [1107.7781]
_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  8  0.0000  0.1090  0.5776  1.0
  Dy  Dy1  8  0.2500  0.2172  0.2500  1.0
  Dy  Dy2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0000  0.1837  0.9576  1.0
  Tl  Tl4  8  0.2500  0.0352  0.2500  1.0
]