data_[Li4Pa4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [16.7731]
_cell_length_b [3.1183]
_cell_length_c [4.0047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPaF]
_chemical_formula_sum '[Li4 Pa4 F4]'
_cell_volume [209.0145]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.1908  0.5000  0.8523  1
  Pa  Pa1  4  0.0527  0.0000  0.2763  1
  F  F2  4  0.1930  0.0000  0.1436  1
]