data_[Pa15C12N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5829]
_cell_length_b [3.5829]
_cell_length_c [43.6355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa5C4N]
_chemical_formula_sum '[Pa15 C12 N3]'
_cell_volume [485.0994]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1992  1
  Pa  Pa1  6  0.0000  0.0000  0.4007  1
  Pa  Pa2  3  0.0000  0.0000  0.0000  1
  C  C3  6  0.0000  0.0000  0.1016  1
  C  C4  6  0.0000  0.0000  0.2998  1
  N  N5  3  -0.0000  -0.0000  0.5000  1
]