data_[Pa2W2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8634]
_cell_length_b [6.6394]
_cell_length_c [5.5463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaWF6]
_chemical_formula_sum '[Pa2 W2 F12]'
_cell_volume [266.2547]
_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  0.5000  0.5000  1
  W  W1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.0571  0.2505  0.8155  1
  F  F3  4  0.2312  0.0000  0.4645  1
]