data_[Pr28Tm64Th24]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [15.6850]
_cell_length_b [15.6850]
_cell_length_c [15.6850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Pr7(Tm8Th3)2]
_chemical_formula_sum '[Pr28 Tm64 Th24]'
_cell_volume [3858.8207]
_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  24  0.0000  0.2500  0.2500  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Tm  Tm2  32  0.1222  0.1222  0.8778  1
  Tm  Tm3  32  0.1588  0.1588  0.3412  1
  Th  Th4  24  0.0000  0.0000  0.3307  1
]