data_[La36Tb21Tm3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.6285]
_cell_length_b [19.6285]
_cell_length_c [6.3820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La12Tb7Tm]
_chemical_formula_sum '[La36 Tb21 Tm3]'
_cell_volume [2129.4313]
_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
[
  La  La0  18  0.0000  0.4079  0.5000  1
  Tb  Tb1  18  0.0826  0.1653  0.8038  1
  La  La2  18  0.0973  0.5486  0.9771  1
  Tb  Tb3  3  0.0000  0.0000  0.5000  1
  Tm  Tm4  3  0.0000  0.0000  0.0000  1
]