data_[Pa4O6F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7174]
_cell_length_b [3.5064]
_cell_length_c [6.1856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2O3F4]
_chemical_formula_sum '[Pa4 O6 F8]'
_cell_volume [272.9978]
_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  0.1054  0.5000  0.3576  1
  O  O1  4  0.1312  0.0000  0.1919  1
  O  O2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.0521  0.5000  0.8115  1
  F  F4  4  0.2073  0.0000  0.6128  1
]