data_[Pr4Sm16Tl2]
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 [C2/m]
_cell_length_a [18.4285]
_cell_length_b [5.0649]
_cell_length_c [8.0784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm8Tl]
_chemical_formula_sum '[Pr4 Sm16 Tl2]'
_cell_volume [727.3554]
_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  0.2228  0.0000  0.6357  1
  Sm  Sm1  4  0.0439  0.0000  0.7251  1
  Sm  Sm2  4  0.0887  0.5000  0.4414  1
  Sm  Sm3  4  0.1355  0.0000  0.1765  1
  Sm  Sm4  4  0.1786  0.5000  0.9085  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]