data_[Tb4Pr4Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6007]
_cell_length_b [6.8020]
_cell_length_c [12.0632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbPrEr5]
_chemical_formula_sum '[Tb4 Pr4 Er20]'
_cell_volume [897.5260]
_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  0.2500  0.2500  0.5000  1
  Pr  Pr1  4  0.0000  0.0269  0.7500  1
  Er  Er2  8  0.0792  0.2778  0.9990  1
  Er  Er3  8  0.2203  0.3626  0.7506  1
  Er  Er4  4  0.0000  0.4090  0.2500  1
]