data_[Tb4Y12Th8]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9740]
_cell_length_b [17.3962]
_cell_length_c [6.5282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbY3Th2]
_chemical_formula_sum '[Tb4 Y12 Th8]'
_cell_volume [792.0044]
_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  4  0.0000  0.3536  0.2500  1
  Y  Y1  8  0.2496  0.1771  0.2500  1
  Y  Y2  4  0.0000  0.1467  0.7500  1
  Th  Th3  8  0.2499  0.0000  0.0000  1
]