data_[Hf6Ti4Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1465]
_cell_length_b [4.4818]
_cell_length_c [18.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf3Ti2Co3]
_chemical_formula_sum '[Hf6 Ti4 Co6]'
_cell_volume [258.0785]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  4  0.0000  0.0000  0.3772  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  4  0.0000  0.5000  0.2631  1.0
  Co  Co3  4  0.0000  0.0000  0.1234  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
]