data_[Tb3Sm4Tm5]
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 [6.1521]
_cell_length_b [7.1039]
_cell_length_c [8.6877]
_cell_angle_alpha [89.8962]
_cell_angle_beta [89.9871]
_cell_angle_gamma [89.8995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb3Sm4Tm5]
_chemical_formula_sum '[Tb3 Sm4 Tm5]'
_cell_volume [379.6822]
_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  0.3320  0.2513  0.8318  1
  Tb  Tb1  1  0.5000  0.5000  0.5000  1
  Sm  Sm2  2  0.1684  0.0001  0.1693  1
  Sm  Sm3  2  0.3328  0.7491  0.8320  1
  Tm  Tm4  2  0.0006  0.2515  0.5001  1
  Tm  Tm5  2  0.1659  0.5001  0.1694  1
  Tm  Tm6  1  0.5000  0.0000  0.5000  1
]