data_[Pr6Tm8Th2]
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 [Pmn2_1]
_cell_length_a [11.5803]
_cell_length_b [7.2332]
_cell_length_c [6.2773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Tm4Th]
_chemical_formula_sum '[Pr6 Tm8 Th2]'
_cell_volume [525.8014]
_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  0.2468  0.6255  0.9785  1
  Pr  Pr1  2  0.0000  0.6224  0.6394  1
  Tm  Tm2  4  0.2480  0.1222  0.9847  1
  Tm  Tm3  2  0.0000  0.1250  0.6507  1
  Tm  Tm4  2  0.0000  0.8814  0.1472  1
  Th  Th5  2  0.0000  0.3679  0.1516  1
]