data_[Pa2Al22Cr2]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2526]
_cell_length_b [12.7090]
_cell_length_c [6.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaAl11Cr]
_chemical_formula_sum '[Pa2 Al22 Cr2]'
_cell_volume [433.0547]
_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  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1038  0.6054  0.2201  1
  Al  Al2  8  0.1980  0.1716  0.3603  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Cr  Cr5  2  0.0000  0.5000  0.5000  1
]