data_[Tb8Sm4Tm16]
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]
_cell_length_a [15.7468]
_cell_length_b [5.9890]
_cell_length_c [12.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tb2SmTm4]
_chemical_formula_sum '[Tb8 Sm4 Tm16]'
_cell_volume [879.4211]
_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  0.2165  0.9672  0.8623  1.0
  Tb  Tb1  2  0.0000  0.5098  0.0000  1.0
  Tb  Tb2  2  0.0000  0.8133  0.5000  1.0
  Sm  Sm3  4  0.2170  0.3537  0.3614  1.0
  Tm  Tm4  4  0.0646  0.8994  0.2752  1.0
  Tm  Tm5  4  0.0662  0.4274  0.7762  1.0
  Tm  Tm6  4  0.1454  0.3206  0.5784  1.0
  Tm  Tm7  4  0.1461  0.0007  0.0784  1.0
]