data_[Tb20Y4Er4Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [I4/mcm]
_cell_length_a [8.7389]
_cell_length_b [8.7389]
_cell_length_c [15.6152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb5YErTh2]
_chemical_formula_sum '[Tb20 Y4 Er4 Th8]'
_cell_volume [1192.5163]
_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
[
  Tb  Tb0  16  0.2109  0.2891  0.3601  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.0000  0.0000  0.2500  1
  Er  Er3  4  0.0000  0.5000  0.2500  1
  Th  Th4  8  0.1200  0.3800  0.0000  1
]