data_[Pr4Sm4Tl6]
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 [12.0049]
_cell_length_b [4.5079]
_cell_length_c [7.9262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm2Tl3]
_chemical_formula_sum '[Pr4 Sm4 Tl6]'
_cell_volume [425.4051]
_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  0.0695  0.5000  0.7073  1.0
  Sm  Sm1  4  0.1994  0.5000  0.1520  1.0
  Tl  Tl2  4  0.1525  0.0000  0.4392  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
]