data_[Dy4Al40Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.1839]
_cell_length_b [10.3501]
_cell_length_c [9.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Dy(Al5Re)2]
_chemical_formula_sum '[Dy4 Al40 Re8]'
_cell_volume [873.9402]
_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
[
  Dy  Dy0  4  0.0000  0.1297  0.7500  1
  Al  Al1  8  0.0000  0.1500  0.0963  1
  Al  Al2  8  0.0000  0.3756  0.5364  1
  Al  Al3  8  0.1590  0.3701  0.2500  1
  Al  Al4  8  0.2251  0.3666  0.7500  1
  Al  Al5  8  0.2258  0.0000  0.0000  1
  Re  Re6  8  0.2500  0.2500  0.0000  1
]