data_[Ti18Co6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0285]
_cell_length_b [5.0285]
_cell_length_c [16.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ti3Co]
_chemical_formula_sum '[Ti18 Co6]'
_cell_volume [364.2531]
_cell_formula_units_Z [6]
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  0.5000  0.0000  1
  Ti  Ti1  4  0.0000  0.0000  0.1126  1
  Ti  Ti2  4  0.3333  0.6667  0.1419  1
  Ti  Ti3  4  0.3333  0.6667  0.6673  1
  Co  Co4  6  0.1569  0.3138  0.2500  1
]