data_[Pr8Cu4Pd8]
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 [10.8783]
_cell_length_b [4.2501]
_cell_length_c [11.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2CuPd2]
_chemical_formula_sum '[Pr8 Cu4 Pd8]'
_cell_volume [454.5873]
_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  0.0227  0.0000  0.3449  1.0
  Pr  Pr1  4  0.1883  0.0000  0.1115  1.0
  Cu  Cu2  4  0.2164  0.5000  0.3349  1.0
  Pd  Pd3  4  0.0301  0.5000  0.8862  1.0
  Pd  Pd4  4  0.1437  0.5000  0.5680  1.0
]