data_[Pr4Dy16Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8700]
_cell_length_b [14.6035]
_cell_length_c [6.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrDy4Th]
_chemical_formula_sum '[Pr4 Dy16 Th4]'
_cell_volume [808.9901]
_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
[
  Pr  Pr0  4  0.0000  0.4133  0.2500  1
  Dy  Dy1  8  0.0917  0.1921  0.5329  1
  Dy  Dy2  8  0.2043  0.3700  0.8757  1
  Th  Th3  4  0.0000  0.0012  0.7500  1
]