data_[Tb3Sm36Dy21]
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 [R-3]
_cell_length_a [12.9068]
_cell_length_b [12.9068]
_cell_length_c [13.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TbSm12Dy7]
_chemical_formula_sum '[Tb3 Sm36 Dy21]'
_cell_volume [2017.3227]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Sm  Sm1  18  0.0004  0.4340  0.2493  1
  Sm  Sm2  18  0.0671  0.1989  0.3446  1
  Dy  Dy3  18  0.0674  0.8685  0.8502  1
  Dy  Dy4  3  0.0000  0.0000  0.5000  1
]