data_[Tb2Sm4Tm16]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9802]
_cell_length_b [4.9297]
_cell_length_c [7.9072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(SmTm4)2]
_chemical_formula_sum '[Tb2 Sm4 Tm16]'
_cell_volume [676.0287]
_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  0.5000  0.0000  1.0
  Sm  Sm1  4  0.2270  0.0000  0.6366  1.0
  Tm  Tm2  4  0.0451  0.0000  0.7276  1.0
  Tm  Tm3  4  0.0895  0.5000  0.4541  1.0
  Tm  Tm4  4  0.1357  0.0000  0.1799  1.0
  Tm  Tm5  4  0.1813  0.5000  0.9088  1.0
]