data_[Hf4Zn12Cu4]
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 [Pnma]
_cell_length_a [8.4153]
_cell_length_b [3.2925]
_cell_length_c [11.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfZn3Cu]
_chemical_formula_sum '[Hf4 Zn12 Cu4]'
_cell_volume [313.3741]
_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  4  0.1546  0.2500  0.0079  1.0
  Zn  Zn1  4  0.0792  0.2500  0.4168  1.0
  Zn  Zn2  4  0.0961  0.7500  0.2186  1.0
  Zn  Zn3  4  0.1513  0.7500  0.8003  1.0
  Cu  Cu4  4  0.1357  0.2500  0.6330  1.0
]