data_[Pr4Tm10Th4]
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 [22.1946]
_cell_length_b [3.4717]
_cell_length_c [8.0973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Tm5Th2]
_chemical_formula_sum '[Pr4 Tm10 Th4]'
_cell_volume [616.1920]
_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  0.1776  0.0000  0.1446  1
  Tm  Tm1  4  0.0910  0.0000  0.7252  1
  Tm  Tm2  4  0.1920  0.5000  0.5421  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0513  0.5000  0.3510  1
]