data_[Hf8Al8Co8]
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 [Amm2]
_cell_length_a [8.0960]
_cell_length_b [5.1678]
_cell_length_c [8.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfAlCo]
_chemical_formula_sum '[Hf8 Al8 Co8]'
_cell_volume [367.8222]
_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
[
  Hf  Hf0  4  0.2121  0.0000  0.3343  1.0
  Hf  Hf1  4  0.3245  0.0000  0.6697  1.0
  Al  Al2  4  0.0000  0.2440  0.5891  1.0
  Al  Al3  4  0.2638  0.0000  0.9937  1.0
  Co  Co4  4  0.5000  0.2422  0.4129  1.0
  Co  Co5  2  0.0000  0.0000  0.8324  1.0
  Co  Co6  2  0.5000  0.0000  0.1681  1.0
]