data_[Tb12Dy4Er20]
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 [C2/m]
_cell_length_a [15.0637]
_cell_length_b [11.2607]
_cell_length_c [9.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3DyEr5]
_chemical_formula_sum '[Tb12 Dy4 Er20]'
_cell_volume [1273.0451]
_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  0.0092  0.5000  0.8118  1
  Tb  Tb1  4  0.0217  0.0000  0.3636  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.5000  0.5000  1
  Dy  Dy4  4  0.2500  0.5000  0.6004  1
  Er  Er5  8  0.1528  0.2508  0.7496  1
  Er  Er6  4  0.0000  0.2598  0.0000  1
  Er  Er7  4  0.2198  0.5000  0.2287  1
  Er  Er8  4  0.2228  0.0000  0.0375  1
]