data_[Tb20Er8Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7141]
_cell_length_b [9.7141]
_cell_length_c [10.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb10Er4Th]
_chemical_formula_sum '[Tb20 Er8 Th2]'
_cell_volume [982.1953]
_cell_formula_units_Z [2]
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  0.1135  0.7874  0.3398  1
  Tb  Tb1  4  0.0000  0.5000  0.2500  1
  Er  Er2  8  0.0684  0.6656  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
]