data_[Ba2La6Pa4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3441]
_cell_length_b [3.6695]
_cell_length_c [7.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLa3(PaN3)2]
_chemical_formula_sum '[Ba2 La6 Pa4 N12]'
_cell_volume [435.0343]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0000  1
  La  La1  4  0.1710  0.0000  0.8413  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  4  0.1706  0.0000  0.3374  1
  N  N4  4  0.0354  0.0000  0.2981  1
  N  N5  4  0.1780  0.5000  0.1288  1
  N  N6  4  0.1794  0.5000  0.5625  1
]