data_[Tb12Tm20Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9896]
_cell_length_b [11.0101]
_cell_length_c [11.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Tm5Sc]
_chemical_formula_sum '[Tb12 Tm20 Sc4]'
_cell_volume [1307.5808]
_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  4  0.1784  0.5000  0.2404  1
  Tb  Tb1  4  0.2183  0.0000  0.3433  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  Tm  Tm4  8  0.1769  0.7433  0.8060  1
  Tm  Tm5  4  0.0000  0.2845  0.0000  1
  Tm  Tm6  4  0.0058  0.5000  0.3718  1
  Tm  Tm7  4  0.1758  0.5000  0.9568  1
  Sc  Sc8  4  0.0684  0.0000  0.7899  1
]