data_[Ho8Ti2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8403]
_cell_length_b [5.9765]
_cell_length_c [8.7821]
_cell_angle_alpha [77.5879]
_cell_angle_beta [72.0498]
_cell_angle_gamma [68.0357]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho4TiN4]
_chemical_formula_sum '[Ho8 Ti2 N8]'
_cell_volume [268.7184]
_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  2  0.0421  0.7684  0.3874  1
  Ho  Ho1  2  0.2142  0.7309  0.9737  1
  Ho  Ho2  2  0.4165  0.2047  0.8250  1
  Ho  Ho3  2  0.4774  0.7289  0.5810  1
  Ti  Ti4  2  0.1399  0.2964  0.2349  1
  N  N5  2  0.1858  0.0597  0.0851  1
  N  N6  2  0.1936  0.4944  0.6127  1
  N  N7  2  0.2857  0.0307  0.3944  1
  N  N8  2  0.3809  0.5038  0.1963  1
]