data_[Nd8Y16Er12]
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 [16.3006]
_cell_length_b [11.6732]
_cell_length_c [6.1733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Y4Er3]
_chemical_formula_sum '[Nd8 Y16 Er12]'
_cell_volume [1167.3458]
_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  0.1214  0.3537  0.8224  1.0
  Y  Y1  8  0.0473  0.1409  0.5146  1.0
  Y  Y2  8  0.2149  0.3630  0.3489  1.0
  Er  Er3  8  0.1653  0.0986  0.0921  1.0
  Er  Er4  4  0.0000  0.4034  0.2500  1.0
]