data_[Pa2P2O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7468]
_cell_length_b [6.9398]
_cell_length_c [7.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PaP(O2F)2]
_chemical_formula_sum '[Pa2 P2 O8 F4]'
_cell_volume [298.6112]
_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  0.0000  0.2639  1
  P  P1  2  0.0000  0.5000  0.4155  1
  O  O2  4  0.0000  0.3174  0.2986  1
  O  O3  4  0.2205  0.5000  0.5356  1
  F  F4  4  0.2482  0.0000  0.0664  1
]