data_[Nd8Dy4Er20Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6815]
_cell_length_b [8.6815]
_cell_length_c [15.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd2DyEr5Th]
_chemical_formula_sum '[Nd8 Dy4 Er20 Th4]'
_cell_volume [1156.3120]
_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
[
  Nd  Nd0  8  0.1162  0.3838  0.0000  1
  Dy  Dy1  4  0.0000  0.5000  0.2500  1
  Er  Er2  16  0.2132  0.2868  0.3603  1
  Er  Er3  4  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0000  0.0000  0.2500  1
]