data_[Hf12Zn8Ga12]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0055]
_cell_length_b [10.1899]
_cell_length_c [13.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf3Zn2Ga3]
_chemical_formula_sum '[Hf12 Zn8 Ga12]'
_cell_volume [559.8260]
_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  0.0676  0.6179  1.0
  Hf  Hf1  4  0.0000  0.3574  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2183  0.1053  1.0
  Ga  Ga3  8  0.0000  0.3868  0.5386  1.0
  Ga  Ga4  4  0.0000  0.3663  0.2500  1.0
]