data_[Tb16Tm8Sc12]
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/c]
_cell_length_a [13.1427]
_cell_length_b [13.0365]
_cell_length_c [6.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4Tm2Sc3]
_chemical_formula_sum '[Tb16 Tm8 Sc12]'
_cell_volume [1056.4470]
_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  8  0.1069  0.2016  0.1165  1.0
  Tb  Tb1  8  0.1262  0.3160  0.6125  1.0
  Tm  Tm2  8  0.2115  0.4424  0.0653  1.0
  Sc  Sc3  8  0.0898  0.0653  0.5929  1.0
  Sc  Sc4  4  0.0000  0.4653  0.2500  1.0
]