data_[Ti4Co2C1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.9561]
_cell_length_b [2.9561]
_cell_length_c [12.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ti4Co2CN]
_chemical_formula_sum '[Ti4 Co2 C1 N1]'
_cell_volume [94.6396]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.0995  1
  Ti  Ti1  2  0.3333  0.6667  0.4010  1
  Co  Co2  2  0.3333  0.6667  0.7474  1
  C  C3  1  0.0000  0.0000  0.0000  1
  N  N4  1  0.0000  0.0000  0.5000  1
]