data_[Tb5Sm1Tm5]
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 [P-6m2]
_cell_length_a [6.0063]
_cell_length_b [6.0063]
_cell_length_c [11.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tb5SmTm5]
_chemical_formula_sum '[Tb5 Sm1 Tm5]'
_cell_volume [363.8294]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3196  1
  Tb  Tb1  2  0.3333  0.6667  0.1549  1
  Tb  Tb2  1  0.6667  0.3333  0.0000  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  Tm  Tm4  3  0.0004  0.5002  0.5000  1
  Tm  Tm5  2  0.6667  0.3333  0.2657  1
]