data_[Tb6Pr16Er6]
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 [Immm]
_cell_length_a [5.7188]
_cell_length_b [10.9553]
_cell_length_c [15.3224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3Pr8Er3]
_chemical_formula_sum '[Tb6 Pr16 Er6]'
_cell_volume [959.9789]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1790  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  8  0.0000  0.1635  0.3961  1
  Pr  Pr3  8  0.0000  0.3426  0.2245  1
  Er  Er4  4  0.0000  0.1976  0.0000  1
  Er  Er5  2  0.0000  0.5000  0.0000  1
]