data_[Tb16Sm4Th4]
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/c]
_cell_length_a [8.8433]
_cell_length_b [14.5981]
_cell_length_c [6.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4SmTh]
_chemical_formula_sum '[Tb16 Sm4 Th4]'
_cell_volume [805.7762]
_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  8  0.0914  0.1927  0.5352  1
  Tb  Tb1  8  0.2023  0.3741  0.8742  1
  Sm  Sm2  4  0.0000  0.4116  0.2500  1
  Th  Th3  4  0.0000  0.0004  0.7500  1
]