data_[Tb2Sm16Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0703]
_cell_length_b [16.3786]
_cell_length_c [6.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Sm4Th)2]
_chemical_formula_sum '[Tb2 Sm16 Th4]'
_cell_volume [746.7972]
_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  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  8  0.2172  0.8831  0.1774  1
  Sm  Sm2  4  0.0000  0.2074  0.5000  1
  Sm  Sm3  4  0.0785  0.5000  0.2931  1
  Th  Th4  4  0.0000  0.3072  0.0000  1
]