data_[Tb1Dy4Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4826]
_cell_length_b [8.4804]
_cell_length_c [8.7192]
_cell_angle_alpha [117.2824]
_cell_angle_beta [90.0843]
_cell_angle_gamma [98.4172]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb(Dy2Th)2]
_chemical_formula_sum '[Tb1 Dy4 Th2]'
_cell_volume [225.7125]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.0451  0.5512  0.7170  1
  Dy  Dy2  2  0.3562  0.1463  0.4228  1
  Th  Th3  2  0.4135  0.2813  0.8673  1
]