data_[Dy3Pa6Ti3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7493]
_cell_length_b [5.7493]
_cell_length_c [14.7196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyPa2TiN6]
_chemical_formula_sum '[Dy3 Pa6 Ti3 N18]'
_cell_volume [421.3555]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.2019  1
  Pa  Pa1  3  0.0000  0.0000  0.4735  1
  Pa  Pa2  3  0.0000  0.0000  0.9779  1
  Ti  Ti3  3  0.0000  0.0000  0.6896  1
  N  N4  9  0.0130  0.7308  0.5853  1
  N  N5  9  0.0424  0.3437  0.7465  1
]