data_[Tb8Er16Sc4]
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]
_cell_length_a [16.0549]
_cell_length_b [6.5998]
_cell_length_c [11.3403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tb2Er4Sc]
_chemical_formula_sum '[Tb8 Er16 Sc4]'
_cell_volume [853.4450]
_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  0.2208  0.2690  0.4693  1
  Tb  Tb1  2  0.0000  0.3587  0.5000  1
  Tb  Tb2  2  0.0000  0.3894  0.0000  1
  Er  Er3  4  0.0051  0.6079  0.7508  1
  Er  Er4  4  0.0064  0.0536  0.7658  1
  Er  Er5  4  0.1580  0.8968  0.6615  1
  Er  Er6  4  0.1641  0.8958  0.1622  1
  Sc  Sc7  4  0.2248  0.2773  0.9738  1
]