data_[Ho3Pa6Ti3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [5.7408]
_cell_length_b [5.7408]
_cell_length_c [14.6773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HoPa2TiN6]
_chemical_formula_sum '[Ho3 Pa6 Ti3 N18]'
_cell_volume [418.9119]
_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
[
  Ho  Ho0  3  0.0000  0.0000  0.2006  1
  Pa  Pa1  3  0.0000  0.0000  0.4732  1
  Pa  Pa2  3  0.0000  0.0000  0.9769  1
  Ti  Ti3  3  0.0000  0.0000  0.6900  1
  N  N4  9  0.0096  0.7285  0.5856  1
  N  N5  9  0.0440  0.3442  0.7470  1
]