data_[Tb1Sm3Tm6]
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 [6.4690]
_cell_length_b [6.4820]
_cell_length_c [9.4423]
_cell_angle_alpha [90.0527]
_cell_angle_beta [109.5510]
_cell_angle_gamma [119.7012]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb(SmTm2)3]
_chemical_formula_sum '[Tb1 Sm3 Tm6]'
_cell_volume [317.2921]
_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  1  0.0000  0.5000  0.5000  1
  Sm  Sm1  2  0.3009  0.4420  0.3088  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Tm  Tm3  2  0.1268  0.1327  0.6867  1
  Tm  Tm4  2  0.3047  0.6512  0.9490  1
  Tm  Tm5  2  0.4468  0.0082  0.3129  1
]