data_[Pr8Sm18Tl22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.5438]
_cell_length_b [23.5655]
_cell_length_c [3.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr4Sm9Tl11]
_chemical_formula_sum '[Pr8 Sm18 Tl22]'
_cell_volume [1420.4808]
_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  0.1694  0.4182  0.5000  1
  Sm  Sm1  8  0.1084  0.0948  0.5000  1
  Sm  Sm2  8  0.1140  0.2741  0.5000  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  8  0.2271  0.1820  0.0000  1
  Tl  Tl5  4  0.0000  0.1877  0.0000  1
  Tl  Tl6  4  0.0000  0.3767  0.0000  1
  Tl  Tl7  4  0.2065  0.0000  0.0000  1
  Tl  Tl8  2  0.0000  0.0000  0.0000  1
]