data_[Na3La3Tb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5523]
_cell_length_b [3.5523]
_cell_length_c [38.5415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaLaTb2]
_chemical_formula_sum '[Na3 La3 Tb6]'
_cell_volume [421.2026]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0000  1
  Tb  Tb1  6  0.0000  0.0000  0.0914  1
  La  La2  3  -0.0000  -0.0000  0.5000  1
]