data_[Y6Pa3Nb3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7907]
_cell_length_b [5.7907]
_cell_length_c [14.7038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Y2PaNbN6]
_chemical_formula_sum '[Y6 Pa3 Nb3 N18]'
_cell_volume [426.9976]
_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
[
  Y  Y0  3  0.0000  0.0000  0.4645  1
  Y  Y1  3  0.0000  0.0000  0.9648  1
  Pa  Pa2  3  0.0000  0.0000  0.1907  1
  Nb  Nb3  3  0.0000  0.0000  0.6926  1
  N  N4  9  0.0676  0.3416  0.7538  1
  N  N5  9  0.0741  0.7069  0.2548  1
]