data_[Cs4Pa8Ge4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8198]
_cell_length_b [6.8198]
_cell_length_c [11.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsPa2GeN5]
_chemical_formula_sum '[Cs4 Pa8 Ge4 N20]'
_cell_volume [537.2109]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.2500  1
  Pa  Pa1  8  0.1923  0.3077  0.0000  1
  Ge  Ge2  4  0.0000  0.5000  0.2500  1
  N  N3  16  0.1344  0.3656  0.3732  1
  N  N4  4  0.0000  0.0000  0.0000  1
]