data_[Tb6Er6Th8]
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 [Amm2]
_cell_length_a [3.8567]
_cell_length_b [13.0893]
_cell_length_c [13.0536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb3Er3Th4]
_chemical_formula_sum '[Tb6 Er6 Th8]'
_cell_volume [658.9619]
_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  4  0.0000  0.2488  0.7502  1
  Tb  Tb1  2  0.5000  0.0000  0.1639  1
  Er  Er2  4  0.5000  0.1639  0.4996  1
  Er  Er3  2  0.5000  0.0000  0.8366  1
  Th  Th4  4  0.0000  0.1326  0.0002  1
  Th  Th5  2  0.0000  0.0000  0.3675  1
  Th  Th6  2  0.0000  0.0000  0.6320  1
]