data_[Hf9Cu6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6752]
_cell_length_b [4.6752]
_cell_length_c [23.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3(CuSn)2]
_chemical_formula_sum '[Hf9 Cu6 Sn6]'
_cell_volume [441.7024]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1247  1
  Hf  Hf1  3  0.0000  0.0000  0.3778  1
  Hf  Hf2  3  0.0000  0.0000  0.6243  1
  Cu  Cu3  3  0.0000  0.0000  0.2450  1
  Cu  Cu4  3  0.0000  0.0000  0.7542  1
  Sn  Sn5  3  0.0000  0.0000  0.5053  1
  Sn  Sn6  3  0.0000  0.0000  0.9938  1
]