data_[Ti24Co8]
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 [I-42m]
_cell_length_a [9.7101]
_cell_length_b [9.7101]
_cell_length_c [5.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ti3Co]
_chemical_formula_sum '[Ti24 Co8]'
_cell_volume [493.2286]
_cell_formula_units_Z [8]
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  8  0.0000  0.3542  0.5000  1.0
  Ti  Ti1  8  0.0958  0.0958  0.2615  1.0
  Ti  Ti2  8  0.2061  0.2061  0.7564  1.0
  Co  Co3  8  0.0000  0.2917  0.0000  1.0
]