data_[Pa4Al12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3067]
_cell_length_b [4.1037]
_cell_length_c [10.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PaAl3Rh]
_chemical_formula_sum '[Pa4 Al12 Rh4]'
_cell_volume [368.8634]
_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  0.1818  0.2500  0.0064  1
  Al  Al1  4  0.0576  0.2500  0.5871  1
  Al  Al2  4  0.1011  0.7500  0.7917  1
  Al  Al3  4  0.1446  0.7500  0.2144  1
  Rh  Rh4  4  0.1170  0.2500  0.3575  1
]