data_[Tb4Nd8Er16]
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]
_cell_length_a [15.9032]
_cell_length_b [6.0303]
_cell_length_c [12.2022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tb(NdEr2)2]
_chemical_formula_sum '[Tb4 Nd8 Er16]'
_cell_volume [903.7626]
_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  0.2163  0.3576  0.3618  1
  Nd  Nd1  4  0.2128  0.9668  0.8598  1
  Nd  Nd2  2  0.0000  0.5077  0.0000  1
  Nd  Nd3  2  0.0000  0.8155  0.5000  1
  Er  Er4  4  0.0630  0.4246  0.7760  1
  Er  Er5  4  0.0651  0.8954  0.2765  1
  Er  Er6  4  0.1477  0.9964  0.0795  1
  Er  Er7  4  0.1490  0.3266  0.5778  1
]