data_[Tb12Sm4Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9970]
_cell_length_b [3.8877]
_cell_length_c [14.6220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3SmTe]
_chemical_formula_sum '[Tb12 Sm4 Te4]'
_cell_volume [625.1414]
_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  0.0649  0.2500  0.4141  1.0
  Tb  Tb1  4  0.0727  0.7500  0.2036  1.0
  Tb  Tb2  4  0.1842  0.7500  0.7914  1.0
  Sm  Sm3  4  0.1669  0.2500  0.9990  1.0
  Te  Te4  4  0.1545  0.2500  0.6229  1.0
]