data_[Pa8Nb4Pt4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2612]
_cell_length_b [13.3755]
_cell_length_c [10.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2NbPtN5]
_chemical_formula_sum '[Pa8 Nb4 Pt4 N20]'
_cell_volume [450.3905]
_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
[
  Pa  Pa0  4  0.0000  0.1196  0.6859  1
  Pa  Pa1  4  0.0000  0.1362  0.3010  1
  Nb  Nb2  4  0.0000  0.1881  0.9998  1
  Pt  Pt3  4  0.0000  0.4860  0.4771  1
  N  N4  4  0.0000  0.0477  0.0937  1
  N  N5  4  0.0000  0.2902  0.6502  1
  N  N6  4  0.0000  0.3028  0.3371  1
  N  N7  4  0.0000  0.3459  0.0004  1
  N  N8  4  0.0000  0.4926  0.7787  1
]