data_[Hf6Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1859]
_cell_length_b [9.4732]
_cell_length_c [5.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Hf3Co]
_chemical_formula_sum '[Hf6 Co2]'
_cell_volume [155.2650]
_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  0.2984  0.3692  1.0
  Hf  Hf1  2  0.0000  0.5000  0.9033  1.0
  Co  Co2  2  0.0000  0.0000  0.0249  1.0
]