data_[Pa4H2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4682]
_cell_length_b [7.5896]
_cell_length_c [4.4169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2HF8]
_chemical_formula_sum '[Pa4 H2 F16]'
_cell_volume [347.9949]
_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  4  0.2119  0.0000  0.0676  1
  H  H1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1646  0.2816  0.1607  1
  F  F3  4  0.1164  0.5000  0.6599  1
  F  F4  4  0.1451  0.0000  0.5551  1
]