data_[Pr24Y4Er8Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4054]
_cell_length_b [15.1798]
_cell_length_c [9.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr6YEr2Th]
_chemical_formula_sum '[Pr24 Y4 Er8 Th4]'
_cell_volume [1386.3604]
_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  8  0.0656  0.1731  0.9426  1
  Pr  Pr1  8  0.0947  0.3931  0.1192  1
  Pr  Pr2  8  0.2084  0.2179  0.3137  1
  Y  Y3  4  0.0000  0.4079  0.7500  1
  Er  Er4  8  0.2442  0.0446  0.5508  1
  Th  Th5  4  0.0000  0.0304  0.2500  1
]