data_[Pa8In4Cl44]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [12.3020]
_cell_length_b [12.3020]
_cell_length_c [13.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pa2InCl11]
_chemical_formula_sum '[Pa8 In4 Cl44]'
_cell_volume [2102.2107]
_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  8  0.1595  0.6595  0.5000  1
  In  In1  4  0.0000  0.0000  0.2500  1
  Cl  Cl2  32  0.0541  0.2346  0.8705  1
  Cl  Cl3  8  0.1985  0.3015  0.5000  1
  Cl  Cl4  4  0.0000  0.5000  0.0000  1
]