data_[Hf12Ga12Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0368]
_cell_length_b [9.9706]
_cell_length_c [13.3627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf3Ga3Cu2]
_chemical_formula_sum '[Hf12 Ga12 Cu8]'
_cell_volume [537.8326]
_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  0.0735  0.6194  1.0
  Hf  Hf1  4  0.0000  0.3554  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3854  0.5402  1.0
  Ga  Ga3  4  0.0000  0.3559  0.2500  1.0
  Cu  Cu4  8  0.0000  0.2149  0.0992  1.0
]