data_[Mg4Pa2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5068]
_cell_length_b [9.5573]
_cell_length_c [3.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2PaF8]
_chemical_formula_sum '[Mg4 Pa2 F16]'
_cell_volume [237.6491]
_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
[
  Mg  Mg0  4  0.0000  0.3250  0.0000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  F  F2  8  0.1855  0.1301  0.0794  1
  F  F3  4  0.0000  0.2450  0.5000  1
  F  F4  4  0.1347  0.5000  0.3073  1
]