data_[Tb4Sm4Al6]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.4543]
_cell_length_b [30.8119]
_cell_length_c [3.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb2Sm2Al3]
_chemical_formula_sum '[Tb4 Sm4 Al6]'
_cell_volume [366.8144]
_cell_formula_units_Z [2]
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  0.0000  0.3029  0.5000  1
  Sm  Sm1  4  0.0000  0.4335  0.5000  1
  Al  Al2  4  0.0000  0.1350  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]