data_[Y8Tm20Th8]
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 [Ima2]
_cell_length_a [14.7747]
_cell_length_b [11.8091]
_cell_length_c [6.5733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Y2Tm5Th2]
_chemical_formula_sum '[Y8 Tm20 Th8]'
_cell_volume [1146.8819]
_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
[
  Y  Y0  8  0.1253  0.4992  0.0491  1
  Tm  Tm1  8  0.0529  0.7439  0.7108  1
  Tm  Tm2  8  0.1423  0.2266  0.9087  1
  Tm  Tm3  4  0.2500  0.7350  0.8985  1
  Th  Th4  4  0.0000  0.0000  0.0169  1
  Th  Th5  4  0.2500  0.0005  0.0834  1
]