data_[Hf4Zn4Ga4]
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 [9.9449]
_cell_length_b [4.1109]
_cell_length_c [6.4999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZnGa]
_chemical_formula_sum '[Hf4 Zn4 Ga4]'
_cell_volume [204.4991]
_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  0.0517  0.0000  0.3050  1
  Zn  Zn1  4  0.1579  0.5000  0.1075  1
  Ga  Ga2  4  0.1635  0.5000  0.7007  1
]