data_[Pa8In4F44]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.6303]
_cell_length_b [11.0127]
_cell_length_c [12.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pa2InF11]
_chemical_formula_sum '[Pa8 In4 F44]'
_cell_volume [1177.2646]
_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  0.1385  0.1803  0.5000  1
  In  In1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0918  0.3006  0.3736  1
  F  F3  16  0.2473  0.0783  0.3797  1
  F  F4  8  0.1368  0.2177  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]