data_[Hf12Ti2Co2]
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 [C2/m]
_cell_length_a [5.9817]
_cell_length_b [9.5831]
_cell_length_c [5.6912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6TiCo]
_chemical_formula_sum '[Hf12 Ti2 Co2]'
_cell_volume [321.8583]
_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  8  0.1108  0.2210  0.7662  1
  Hf  Hf1  4  0.2451  0.0000  0.4359  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
]