data_[Tb12Y38Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.4531]
_cell_length_b [12.4531]
_cell_length_c [12.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Tb6Y19Er4]
_chemical_formula_sum '[Tb12 Y38 Er8]'
_cell_volume [1931.2324]
_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  12  0.0000  0.3758  0.5000  1
  Y  Y1  24  0.0622  0.7367  0.7202  1
  Y  Y2  12  0.0000  0.0000  0.2591  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Er  Er4  8  0.1790  0.1790  0.8210  1
]