data_[Pr8Cd4Cu8]
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 [C2/m]
_cell_length_a [8.5301]
_cell_length_b [7.4430]
_cell_length_c [7.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2CdCu2]
_chemical_formula_sum '[Pr8 Cd4 Cu8]'
_cell_volume [468.2162]
_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
[
  Pr  Pr0  4  0.1615  0.5000  0.2285  1.0
  Pr  Pr1  4  0.2095  0.0000  0.2454  1.0
  Cd  Cd2  4  0.0000  0.2141  0.5000  1.0
  Cu  Cu3  8  0.1015  0.2147  0.9058  1.0
]