data_[Nd16Y8Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7752]
_cell_length_b [13.7380]
_cell_length_c [6.4705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4Y2Er3]
_chemical_formula_sum '[Nd16 Y8 Er12]'
_cell_volume [1220.8789]
_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  0.1075  0.2046  0.6128  1.0
  Nd  Nd1  8  0.1288  0.3166  0.1072  1.0
  Y  Y2  8  0.2097  0.4416  0.5491  1.0
  Er  Er3  8  0.0948  0.0672  0.0916  1.0
  Er  Er4  4  0.0000  0.4664  0.7500  1.0
]