data_[Pr12Sm8Tl4]
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/c]
_cell_length_a [17.6247]
_cell_length_b [6.9534]
_cell_length_c [6.6478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Sm2Tl]
_chemical_formula_sum '[Pr12 Sm8 Tl4]'
_cell_volume [804.4562]
_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  0.1675  0.1156  0.0444  1
  Pr  Pr1  4  0.0000  0.2331  0.2500  1
  Sm  Sm2  8  0.1610  0.3934  0.5742  1
  Tl  Tl3  4  0.0000  0.2756  0.7500  1
]