data_[Tb16Er10Th2]
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 [I-4]
_cell_length_a [9.5284]
_cell_length_b [9.5284]
_cell_length_c [10.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb8Er5Th]
_chemical_formula_sum '[Tb16 Er10 Th2]'
_cell_volume [916.4527]
_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  8  0.0687  0.6737  0.5947  1
  Tb  Tb1  8  0.0927  0.8266  0.2495  1
  Er  Er2  8  0.1139  0.7925  0.9238  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Th  Th4  2  0.0000  0.5000  0.2500  1
]