data_[Ti24C15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0930]
_cell_length_b [3.0930]
_cell_length_c [58.1238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti8C5]
_chemical_formula_sum '[Ti24 C15]'
_cell_volume [481.5420]
_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  6  0.0000  0.0000  0.0620  1.0
  Ti  Ti1  6  0.0000  0.0000  0.1883  1.0
  Ti  Ti2  6  0.0000  0.0000  0.3128  1.0
  Ti  Ti3  6  0.0000  0.0000  0.4392  1.0
  C  C4  6  0.0000  0.0000  0.1254  1.0
  C  C5  6  0.0000  0.0000  0.3771  1.0
  C  C6  3  0.0000  0.0000  0.0000  1.0
]