data_[Tb12Er8Sc16]
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 [15.9778]
_cell_length_b [11.1228]
_cell_length_c [5.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3(ErSc2)2]
_chemical_formula_sum '[Tb12 Er8 Sc16]'
_cell_volume [1015.9501]
_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  0.1616  0.1049  0.1060  1
  Tb  Tb1  4  0.0000  0.3853  0.2500  1
  Er  Er2  8  0.1248  0.3695  0.8059  1
  Sc  Sc3  8  0.0468  0.1299  0.5282  1
  Sc  Sc4  8  0.2269  0.3618  0.3453  1
]