data_[Tb8Pr4Er12]
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 [8.9550]
_cell_length_b [9.7570]
_cell_length_c [8.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2PrEr3]
_chemical_formula_sum '[Tb8 Pr4 Er12]'
_cell_volume [763.4959]
_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  0.1234  0.2526  0.6255  1
  Pr  Pr1  4  0.0000  0.0911  0.2500  1
  Er  Er2  8  0.2467  0.0836  0.9958  1
  Er  Er3  4  0.0000  0.4241  0.2500  1
]