data_[Y8Tm20Th4]
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 [C2/c]
_cell_length_a [6.5720]
_cell_length_b [16.2926]
_cell_length_c [9.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Tm5Th]
_chemical_formula_sum '[Y8 Tm20 Th4]'
_cell_volume [1007.3784]
_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  0.1737  0.4457  0.4172  1
  Tm  Tm1  8  0.0455  0.2460  0.4109  1
  Tm  Tm2  8  0.1699  0.1217  0.8949  1
  Tm  Tm3  4  0.0000  0.3346  0.7500  1
  Th  Th4  4  0.0000  0.0631  0.2500  1
]