data_[Dy1Tm1Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4821]
_cell_length_b [5.6972]
_cell_length_c [9.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [DyTmTh4]
_chemical_formula_sum '[Dy1 Tm1 Th4]'
_cell_volume [195.4841]
_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
[
  Dy  Dy0  1  0.5000  0.5000  0.5000  1
  Tm  Tm1  1  0.5000  0.0000  0.0000  1
  Th  Th2  2  0.0000  0.0000  0.3322  1
  Th  Th3  2  0.0000  0.5000  0.1659  1
]