data_[Nd12Er4Al4]
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 [C2/m]
_cell_length_a [13.2828]
_cell_length_b [3.6778]
_cell_length_c [12.5803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3ErAl]
_chemical_formula_sum '[Nd12 Er4 Al4]'
_cell_volume [611.3950]
_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  0.0372  0.0000  0.1953  1
  Nd  Nd1  4  0.1381  0.5000  0.9791  1
  Nd  Nd2  4  0.1420  0.0000  0.4462  1
  Er  Er3  4  0.2175  0.0000  0.7457  1
  Al  Al4  4  0.0528  0.5000  0.6218  1
]