data_[Pr4Cu2Pd5]
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 [P2/m]
_cell_length_a [7.2500]
_cell_length_b [3.9841]
_cell_length_c [8.3518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Cu2Pd5]
_chemical_formula_sum '[Pr4 Cu2 Pd5]'
_cell_volume [241.2275]
_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  2  0.2339  0.5000  0.8747  1.0
  Pr  Pr1  2  0.2608  0.5000  0.3789  1.0
  Cu  Cu2  2  0.0815  0.0000  0.6247  1.0
  Pd  Pd3  2  0.1322  0.0000  0.1300  1.0
  Pd  Pd4  2  0.4365  0.0000  0.6602  1.0
  Pd  Pd5  1  0.5000  0.0000  0.0000  1.0
]