data_[Pr12Tm2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2183]
_cell_length_b [3.8482]
_cell_length_c [12.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TmTl2]
_chemical_formula_sum '[Pr12 Tm2 Tl4]'
_cell_volume [595.5830]
_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  0.0218  0.0000  0.3430  1
  Pr  Pr1  4  0.1781  0.5000  0.8771  1
  Pr  Pr2  4  0.1948  0.5000  0.5957  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  4  0.1361  0.5000  0.1880  1
]