data_[Tb4Sm4Tm4]
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 [C2/m]
_cell_length_a [17.3158]
_cell_length_b [3.5790]
_cell_length_c [6.2194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSmTm]
_chemical_formula_sum '[Tb4 Sm4 Tm4]'
_cell_volume [382.7684]
_cell_formula_units_Z [4]
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  4  0.0821  0.0000  0.3605  1.0
  Sm  Sm1  4  0.2491  0.0000  0.7503  1.0
  Tm  Tm2  4  0.0822  0.5000  0.8622  1.0
]