data_[Pa4As12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0884]
_cell_length_b [13.4139]
_cell_length_c [11.9928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PaAs3Pd5]
_chemical_formula_sum '[Pa4 As12 Pd20]'
_cell_volume [657.6967]
_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
[
  Pa  Pa0  4  0.0000  0.1111  0.2500  1
  As  As1  8  0.0000  0.3914  0.5766  1
  As  As2  4  0.0000  0.1247  0.7500  1
  Pd  Pd3  8  0.0000  0.2110  0.5684  1
  Pd  Pd4  8  0.0000  0.4216  0.1352  1
  Pd  Pd5  4  0.0000  0.0000  0.0000  1
]