data_[Hf12Zn12Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0899]
_cell_length_b [9.7529]
_cell_length_c [13.3932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf3Zn3Cu2]
_chemical_formula_sum '[Hf12 Zn12 Cu8]'
_cell_volume [534.2298]
_cell_formula_units_Z [4]
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  0.0000  0.0813  0.6156  1.0
  Hf  Hf1  4  0.0000  0.3595  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3832  0.5365  1.0
  Zn  Zn3  4  0.0000  0.3556  0.2500  1.0
  Cu  Cu4  8  0.0000  0.2061  0.1038  1.0
]