data_[Pr6Tm8Th4]
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 [C2/m]
_cell_length_a [11.7730]
_cell_length_b [3.4709]
_cell_length_c [14.7689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Tm2Th)2]
_chemical_formula_sum '[Pr6 Tm8 Th4]'
_cell_volume [589.7461]
_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  0.1417  0.5000  0.6587  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  4  0.1237  0.0000  0.4420  1
  Tm  Tm3  4  0.2040  0.5000  0.8954  1
  Th  Th4  4  0.0942  0.5000  0.2229  1
]