data_[Tb8Nd12Er20]
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/c]
_cell_length_a [10.6482]
_cell_length_b [16.0035]
_cell_length_c [9.3833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2Nd3Er5]
_chemical_formula_sum '[Tb8 Nd12 Er20]'
_cell_volume [1317.4947]
_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  0.1507  0.3821  0.5470  1
  Nd  Nd1  8  0.1458  0.1240  0.0471  1
  Nd  Nd2  4  0.0000  0.2343  0.2500  1
  Er  Er3  8  0.2419  0.3872  0.2334  1
  Er  Er4  4  0.0000  0.0258  0.2500  1
  Er  Er5  4  0.0000  0.2721  0.7500  1
  Er  Er6  4  0.0000  0.4715  0.7500  1
]