data_[Hf16Os2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3308]
_cell_length_b [6.2813]
_cell_length_c [5.7901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8OsN2]
_chemical_formula_sum '[Hf16 Os2 N4]'
_cell_volume [438.8564]
_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
[
  Hf  Hf0  8  0.0966  0.2506  0.7266  1
  Hf  Hf1  4  0.1340  0.5000  0.2043  1
  Hf  Hf2  4  0.1853  0.0000  0.2901  1
  Os  Os3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1971  0.0000  0.6554  1
]