data_[Ti13Co2]
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 [P-1]
_cell_length_a [5.4072]
_cell_length_b [6.8927]
_cell_length_c [7.5456]
_cell_angle_alpha [116.4803]
_cell_angle_beta [92.0568]
_cell_angle_gamma [100.1922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti13Co2]
_chemical_formula_sum '[Ti13 Co2]'
_cell_volume [245.6403]
_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  0.0376  0.4448  0.6705  1.0
  Ti  Ti1  2  0.2017  0.0145  0.6377  1.0
  Ti  Ti2  2  0.2447  0.3968  0.9998  1.0
  Ti  Ti3  2  0.2585  0.8527  0.2187  1.0
  Ti  Ti4  2  0.4260  0.7995  0.8472  1.0
  Ti  Ti5  2  0.4747  0.6538  0.4234  1.0
  Ti  Ti6  1  0.0000  0.0000  0.0000  1.0
  Co  Co7  2  0.1819  0.2521  0.3340  1.0
]