data_[Tb16Er8Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1918]
_cell_length_b [13.0778]
_cell_length_c [6.2093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4Er2Sc3]
_chemical_formula_sum '[Tb16 Er8 Sc12]'
_cell_volume [1067.9221]
_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  0.1068  0.2014  0.1172  1.0
  Tb  Tb1  8  0.1264  0.3156  0.6128  1.0
  Er  Er2  8  0.2121  0.4422  0.0663  1.0
  Sc  Sc3  8  0.0894  0.0654  0.5925  1.0
  Sc  Sc4  4  0.0000  0.4655  0.2500  1.0
]