data_[Sc4Pa8Zn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4040]
_cell_length_b [13.3549]
_cell_length_c [10.2397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ScPa2ZnN5]
_chemical_formula_sum '[Sc4 Pa8 Zn4 N20]'
_cell_volume [465.4953]
_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
[
  Sc  Sc0  4  0.0000  0.2023  0.9918  1
  Pa  Pa1  4  0.0000  0.1265  0.6849  1
  Pa  Pa2  4  0.0000  0.1266  0.2733  1
  Zn  Zn3  4  0.0000  0.4881  0.4830  1
  N  N4  4  0.0000  0.0510  0.0707  1
  N  N5  4  0.0000  0.2925  0.6549  1
  N  N6  4  0.0000  0.3007  0.3396  1
  N  N7  4  0.0000  0.3580  0.0384  1
  N  N8  4  0.0000  0.4873  0.7873  1
]