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-1]
_cell_length_a [6.8090]
_cell_length_b [6.9319]
_cell_length_c [8.2677]
_cell_angle_alpha [76.2664]
_cell_angle_beta [76.7739]
_cell_angle_gamma [72.5346]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb5SmTm5]
_chemical_formula_sum '[Tb5 Sm1 Tm5]'
_cell_volume [356.3328]
_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  0.1559  0.6323  0.3583  1
  Tb  Tb1  2  0.3204  0.7694  0.6559  1
  Tb  Tb2  1  0.0000  0.5000  0.0000  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  Tm  Tm4  2  0.2136  0.1391  0.3139  1
  Tm  Tm5  2  0.3538  0.2526  0.7151  1
  Tm  Tm6  1  0.5000  0.5000  0.0000  1
]