data_[Tb6Sm3Y3]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6069]
_cell_length_b [3.6069]
_cell_length_c [34.6970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb2SmY]
_chemical_formula_sum '[Tb6 Sm3 Y3]'
_cell_volume [390.9266]
_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  0.7508  1
  Tb  Tb1  3  0.0000  0.0000  0.9161  1
  Sm  Sm2  3  0.0000  0.0000  0.3334  1
  Y  Y3  3  0.0000  0.0000  0.4997  1
]