data_[Ho8Pa6N16]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5562]
_cell_length_b [9.7947]
_cell_length_c [6.8720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4Pa3N8]
_chemical_formula_sum '[Ho8 Pa6 N16]'
_cell_volume [464.3176]
_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
[
  Ho  Ho0  4  0.2500  0.2500  0.5000  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  Ho  Ho2  2  0.0000  0.0000  0.5000  1
  Pa  Pa3  4  0.2500  0.2500  0.0000  1
  Pa  Pa4  2  0.0000  0.5000  0.5000  1
  N  N5  4  0.0000  0.2389  0.0000  1
  N  N6  4  0.0000  0.2478  0.5000  1
  N  N7  4  0.2411  0.0000  0.9995  1
  N  N8  4  0.2455  0.5000  0.5269  1
]