data_[Dy2Mn12Al12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9077]
_cell_length_b [8.6287]
_cell_length_c [8.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Dy(MnAl)6]
_chemical_formula_sum '[Dy2 Mn12 Al12]'
_cell_volume [372.0672]
_cell_formula_units_Z [2]
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
[
  Dy  Dy0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  8  0.2500  0.2500  0.2500  1.0
  Mn  Mn2  4  0.0000  0.2658  0.5000  1.0
  Al  Al3  4  0.0000  0.0000  0.3478  1.0
  Al  Al4  4  0.0000  0.3367  0.0000  1.0
  Al  Al5  4  0.0000  0.5000  0.3000  1.0
]