data_[Y5Tm12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0390]
_cell_length_b [9.5364]
_cell_length_c [11.1845]
_cell_angle_alpha [69.9403]
_cell_angle_beta [82.3007]
_cell_angle_gamma [89.0604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y5(Tm6Th)2]
_chemical_formula_sum '[Y5 Tm12 Th2]'
_cell_volume [599.2867]
_cell_formula_units_Z [1]
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
[
  Y  Y0  2  0.1084  0.4564  0.8422  1
  Y  Y1  2  0.4960  0.0524  0.3317  1
  Y  Y2  1  0.0000  0.5000  0.5000  1
  Tm  Tm3  2  0.0393  0.1867  0.1560  1
  Tm  Tm4  2  0.0722  0.8137  0.5418  1
  Tm  Tm5  2  0.1767  0.8194  0.2249  1
  Tm  Tm6  2  0.3775  0.4126  0.2848  1
  Tm  Tm7  2  0.4236  0.3152  0.6006  1
  Tm  Tm8  2  0.4285  0.6877  0.9845  1
  Th  Th9  2  0.2756  0.0675  0.9193  1
]