data_[Tb12Nd4Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7383]
_cell_length_b [7.9528]
_cell_length_c [12.2211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3NdEr5]
_chemical_formula_sum '[Tb12 Nd4 Er20]'
_cell_volume [1231.6250]
_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  0.1185  0.5000  0.3122  1
  Tb  Tb1  4  0.1756  0.0000  0.3428  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.5000  0.5000  1
  Nd  Nd4  4  0.2367  0.0000  0.1299  1
  Er  Er5  8  0.0646  0.2046  0.7806  1
  Er  Er6  4  0.0000  0.3206  0.0000  1
  Er  Er7  4  0.1230  0.0000  0.5662  1
  Er  Er8  4  0.2005  0.5000  0.0705  1
]