data_[Pa12Ga4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1165]
_cell_length_b [11.1381]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa3GaN6]
_chemical_formula_sum '[Pa12 Ga4 N24]'
_cell_volume [569.2440]
_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  8  0.1979  0.1136  0.5101  1
  Pa  Pa1  4  0.0000  0.3937  0.4585  1
  Ga  Ga2  4  0.0000  0.1774  0.0134  1
  N  N3  8  0.1548  0.2532  0.2142  1
  N  N4  8  0.1571  0.4894  0.7352  1
  N  N5  4  0.0000  0.0035  0.9221  1
  N  N6  4  0.0000  0.2259  0.6723  1
]