data_[Tb18Mg3Sc36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6626]
_cell_length_b [11.6626]
_cell_length_c [13.2011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6MgSc12]
_chemical_formula_sum '[Tb18 Mg3 Sc36]'
_cell_volume [1555.0156]
_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  18  0.0236  0.5947  0.7128  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Sc  Sc2  18  0.0467  0.8679  0.8097  1
  Sc  Sc3  18  0.0629  0.1896  0.4043  1
]