data_[Pa10Tc4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3091]
_cell_length_b [5.8434]
_cell_length_c [7.5559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5(TcN6)2]
_chemical_formula_sum '[Pa10 Tc4 N24]'
_cell_volume [517.7090]
_cell_formula_units_Z [2]
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  0.1836  0.5000  0.8375  1
  Pa  Pa1  4  0.1854  0.5000  0.3474  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Tc  Tc3  4  0.0000  0.2135  0.0000  1
  N  N4  8  0.1546  0.2466  0.5753  1
  N  N5  8  0.1684  0.2685  0.0863  1
  N  N6  4  0.0011  0.5000  0.8124  1
  N  N7  4  0.0015  0.0000  0.8031  1
]