data_[Pr8Cu8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7134]
_cell_length_b [4.1926]
_cell_length_c [11.3296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Cu2Pd]
_chemical_formula_sum '[Pr8 Cu8 Pd4]'
_cell_volume [454.4285]
_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  0.0447  0.0000  0.3553  1
  Pr  Pr1  4  0.1981  0.0000  0.1140  1
  Cu  Cu2  4  0.0170  0.5000  0.8918  1
  Cu  Cu3  4  0.1260  0.5000  0.5720  1
  Pd  Pd4  4  0.2283  0.5000  0.3202  1
]