data_[Hf2Zn22Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0799]
_cell_length_b [12.3889]
_cell_length_c [6.5546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZn11Co]
_chemical_formula_sum '[Hf2 Zn22 Co2]'
_cell_volume [382.7098]
_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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1147  0.3958  0.2139  1
  Zn  Zn2  8  0.1590  0.8305  0.3546  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Co  Co5  2  0.0000  0.0000  0.5000  1
]