data_[Pr1Dy4Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4997]
_cell_length_b [3.4997]
_cell_length_c [17.3755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrDy4Cu5]
_chemical_formula_sum '[Pr1 Dy4 Cu5]'
_cell_volume [212.8144]
_cell_formula_units_Z [1]
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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.2055  1.0
  Dy  Dy2  2  0.0000  0.0000  0.4013  1.0
  Cu  Cu3  2  0.5000  0.5000  0.1117  1.0
  Cu  Cu4  2  0.5000  0.5000  0.3024  1.0
  Cu  Cu5  1  0.5000  0.5000  0.5000  1.0
]