data_[Tb3Ce3Sm6]
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 [3.5649]
_cell_length_b [3.5649]
_cell_length_c [35.0131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbCeSm2]
_chemical_formula_sum '[Tb3 Ce3 Sm6]'
_cell_volume [385.3450]
_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  0.3334  1.0
  Ce  Ce1  3  0.0000  0.0000  0.4998  1.0
  Sm  Sm2  3  0.0000  0.0000  0.7501  1.0
  Sm  Sm3  3  0.0000  0.0000  0.9167  1.0
]