data_[Pa8Ti4Tc4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4440]
_cell_length_b [13.0503]
_cell_length_c [9.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2TiTcN5]
_chemical_formula_sum '[Pa8 Ti4 Tc4 N20]'
_cell_volume [428.2423]
_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  0.1154  0.6824  1
  Pa  Pa1  4  0.0000  0.1428  0.2973  1
  Ti  Ti2  4  0.0000  0.4544  0.4725  1
  Tc  Tc3  4  0.0000  0.2087  0.0024  1
  N  N4  4  0.0000  0.0515  0.0664  1
  N  N5  4  0.0000  0.2879  0.6531  1
  N  N6  4  0.0000  0.3121  0.3613  1
  N  N7  4  0.0000  0.3755  0.0088  1
  N  N8  4  0.0000  0.4939  0.7798  1
]