data_[Pa6In6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.9281]
_cell_length_b [3.7109]
_cell_length_c [7.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PaInPd]
_chemical_formula_sum '[Pa6 In6 Pd6]'
_cell_volume [402.0584]
_cell_formula_units_Z [6]
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  4  0.0481  0.0000  0.7702  1
  Pa  Pa1  2  0.2500  0.0000  0.1604  1
  In  In2  4  0.1130  0.5000  0.4380  1
  In  In3  2  0.2500  0.5000  0.8109  1
  Pd  Pd4  4  0.0953  0.5000  0.0659  1
  Pd  Pd5  2  0.2500  0.0000  0.5446  1
]