data_[Nd12Dy4Al8]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7655]
_cell_length_b [5.1727]
_cell_length_c [8.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3DyAl2]
_chemical_formula_sum '[Nd12 Dy4 Al8]'
_cell_volume [696.7106]
_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  0.0608  0.0000  0.8272  1.0
  Nd  Nd1  4  0.1154  0.5000  0.5416  1.0
  Nd  Nd2  4  0.1818  0.5000  0.9926  1.0
  Dy  Dy3  4  0.1605  0.0000  0.2792  1.0
  Al  Al4  4  0.0322  0.5000  0.1659  1.0
  Al  Al5  4  0.2233  0.0000  0.6601  1.0
]