data_[Pr8Sm6Tl2]
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 [Pmn2_1]
_cell_length_a [11.5545]
_cell_length_b [7.2871]
_cell_length_c [6.3298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4Sm3Tl]
_chemical_formula_sum '[Pr8 Sm6 Tl2]'
_cell_volume [532.9593]
_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  0.2285  0.3648  0.9878  1
  Pr  Pr1  2  0.0000  0.3690  0.6194  1
  Pr  Pr2  2  0.0000  0.6288  0.1739  1
  Sm  Sm3  4  0.2445  0.8852  0.9732  1
  Sm  Sm4  2  0.0000  0.8744  0.6475  1
  Tl  Tl5  2  0.0000  0.1093  0.1526  1
]