data_[Pa2Cu2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2277]
_cell_length_b [5.5873]
_cell_length_c [7.3562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaCuPd4]
_chemical_formula_sum '[Pa2 Cu2 Pd8]'
_cell_volume [203.7849]
_cell_formula_units_Z [2]
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
[
  Pa  Pa0  2  0.3145  0.7500  0.6429  1
  Cu  Cu1  2  0.2078  0.2500  0.9807  1
  Pd  Pd2  4  0.1558  0.0004  0.2858  1
  Pd  Pd3  2  0.2933  0.7500  0.9958  1
  Pd  Pd4  2  0.3128  0.2500  0.6411  1
]