data_[Ti10Sb6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.9659]
_cell_length_b [7.9659]
_cell_length_c [5.5506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Ti5Sb3N]
_chemical_formula_sum '[Ti10 Sb6 N2]'
_cell_volume [305.0296]
_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
[
  Ti  Ti0  6  0.0000  0.2074  0.2500  1
  Ti  Ti1  4  0.3333  0.6667  0.0000  1
  Sb  Sb2  6  0.0000  0.4038  0.7500  1
  N  N3  2  0.0000  0.0000  0.0000  1
]