data_[Ti9W3C9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0544]
_cell_length_b [3.0544]
_cell_length_c [30.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti3WC3N]
_chemical_formula_sum '[Ti9 W3 C9 N3]'
_cell_volume [244.5087]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.0019  1
  Ti  Ti1  3  0.0000  0.0000  0.4985  1
  Ti  Ti2  3  0.0000  0.0000  0.7501  1
  W  W3  3  0.0000  0.0000  0.2492  1
  C  C4  3  0.0000  0.0000  0.1251  1
  C  C5  3  0.0000  0.0000  0.3742  1
  C  C6  3  0.0000  0.0000  0.8752  1
  N  N7  3  0.0000  0.0000  0.6258  1
]