data_[Hf12Al6Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4521]
_cell_length_b [7.7897]
_cell_length_c [10.7063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Al3Co]
_chemical_formula_sum '[Hf12 Al6 Co2]'
_cell_volume [400.4537]
_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  0.0839  0.0493  0.2368  1
  Hf  Hf1  4  0.1425  0.6865  0.0557  1
  Hf  Hf2  4  0.4465  0.1646  0.0505  1
  Al  Al3  4  0.3697  0.1115  0.7418  1
  Al  Al4  2  0.5000  0.0000  0.5000  1
  Co  Co5  2  0.0000  0.0000  0.0000  1
]