data_[Pr18Tm36Tl3]
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 [R-3]
_cell_length_a [11.9125]
_cell_length_b [11.9125]
_cell_length_c [14.8386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr6Tm12Tl]
_chemical_formula_sum '[Pr18 Tm36 Tl3]'
_cell_volume [1823.6098]
_cell_formula_units_Z [3]
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  18  0.0102  0.4200  0.6812  1
  Tm  Tm1  18  0.0041  0.8301  0.1873  1
  Tm  Tm2  18  0.0451  0.8534  0.4163  1
  Tl  Tl3  3  0.0000  0.0000  0.0000  1
]