data_[Tb12Ce3Sm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5989]
_cell_length_b [3.5989]
_cell_length_c [60.6849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb4CeSm2]
_chemical_formula_sum '[Tb12 Ce3 Sm6]'
_cell_volume [680.6827]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1514  1
  Tb  Tb1  3  0.0000  0.0000  0.2475  1
  Tb  Tb2  3  0.0000  0.0000  0.6763  1
  Tb  Tb3  3  0.0000  0.0000  0.7711  1
  Ce  Ce4  3  0.0000  0.0000  0.0570  1
  Sm  Sm5  3  0.0000  0.0000  0.8662  1
  Sm  Sm6  3  0.0000  0.0000  0.9618  1
]