data_[Tb12Dy20Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.7632]
_cell_length_b [16.7434]
_cell_length_c [6.2475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb3Dy5Er2]
_chemical_formula_sum '[Tb12 Dy20 Er8]'
_cell_volume [1335.0974]
_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  0.1589  0.2502  0.0000  1
  Tb  Tb1  4  0.0000  0.0000  0.2500  1
  Dy  Dy2  8  0.0998  0.3433  0.5000  1
  Dy  Dy3  8  0.2497  0.0000  0.2500  1
  Dy  Dy4  4  0.0000  0.5000  0.2500  1
  Er  Er5  8  0.0989  0.1567  0.5000  1
]