data_[Nd4Er8Al4]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3042]
_cell_length_b [6.8936]
_cell_length_c [11.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdEr2Al]
_chemical_formula_sum '[Nd4 Er8 Al4]'
_cell_volume [434.0422]
_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  0.5000  0.2359  0.5877  1.0
  Er  Er1  4  0.0000  0.2373  0.4102  1.0
  Er  Er2  2  0.0000  0.0000  0.1738  1.0
  Er  Er3  2  0.5000  0.0000  0.8257  1.0
  Al  Al4  2  0.0000  0.0000  0.6725  1.0
  Al  Al5  2  0.5000  0.0000  0.3322  1.0
]