data_[Hf8Zn8Ga4]
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 [C2/m]
_cell_length_a [10.0488]
_cell_length_b [4.1248]
_cell_length_c [9.5420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Zn2Ga]
_chemical_formula_sum '[Hf8 Zn8 Ga4]'
_cell_volume [354.6018]
_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  0.0011  0.0000  0.3174  1.0
  Hf  Hf1  4  0.1797  0.0000  0.0907  1.0
  Zn  Zn2  4  0.0325  0.5000  0.8878  1.0
  Zn  Zn3  4  0.1373  0.5000  0.5615  1.0
  Ga  Ga4  4  0.2207  0.5000  0.3310  1.0
]