data_[Nd8Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [15.7132]
_cell_length_b [6.2672]
_cell_length_c [9.2007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Er5]
_chemical_formula_sum '[Nd8 Er20]'
_cell_volume [901.0989]
_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
[
  Nd  Nd0  8  0.0729  0.3318  0.1077  1.0
  Er  Er1  8  0.1453  0.1644  0.4652  1.0
  Er  Er2  8  0.2141  0.3327  0.8215  1.0
  Er  Er3  4  0.0000  0.1649  0.7500  1.0
]