data_[Pa2Cl1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.8701]
_cell_length_b [7.8701]
_cell_length_c [3.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pa2ClF9]
_chemical_formula_sum '[Pa2 Cl1 F9]'
_cell_volume [192.2672]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1
  Cl  Cl1  1  0.0000  0.0000  0.0000  1
  F  F2  6  0.2278  0.4555  0.5000  1
  F  F3  3  0.0000  0.5000  0.0000  1
]