data_[Tb12Sm16Dy8]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.8341]
_cell_length_b [16.9077]
_cell_length_c [7.0458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Tb3(Sm2Dy)2]
_chemical_formula_sum '[Tb12 Sm16 Dy8]'
_cell_volume [1171.5342]
_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  8  0.0000  0.1691  0.2500  1.0
  Tb  Tb1  4  0.0000  0.5000  0.2500  1.0
  Sm  Sm2  8  0.1515  0.3281  0.0000  1.0
  Sm  Sm3  8  0.1649  0.0119  0.0000  1.0
  Dy  Dy4  8  0.1829  0.3386  0.5000  1.0
]