data_[Nd4Dy8Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.3978]
_cell_length_b [12.3132]
_cell_length_c [6.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdDy2Er3]
_chemical_formula_sum '[Nd4 Dy8 Er12]'
_cell_volume [786.9218]
_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  4  0.0000  0.1458  0.6744  1
  Dy  Dy1  8  0.1706  0.3741  0.9232  1
  Er  Er2  8  0.1713  0.3595  0.4241  1
  Er  Er3  4  0.0000  0.1521  0.1729  1
]