data_[Pr6Cd6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.5726]
_cell_length_b [3.9733]
_cell_length_c [7.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrCdCu]
_chemical_formula_sum '[Pr6 Cd6 Cu6]'
_cell_volume [417.9943]
_cell_formula_units_Z [6]
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  4  0.0446  0.0000  0.7604  1
  Pr  Pr1  2  0.2500  0.0000  0.1440  1
  Cd  Cd2  4  0.1234  0.5000  0.4277  1
  Cd  Cd3  2  0.2500  0.5000  0.7982  1
  Cu  Cu4  4  0.0899  0.5000  0.0513  1
  Cu  Cu5  2  0.2500  0.0000  0.5514  1
]