data_[Hf2Zn3Ga1]
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 [Pmm2]
_cell_length_a [3.1465]
_cell_length_b [4.3220]
_cell_length_c [7.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Hf2Zn3Ga]
_chemical_formula_sum '[Hf2 Zn3 Ga1]'
_cell_volume [101.5644]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4987  1.0
  Hf  Hf1  1  0.0000  0.5000  0.0012  1.0
  Zn  Zn2  1  0.5000  0.0000  0.1629  1.0
  Zn  Zn3  1  0.5000  0.0000  0.8314  1.0
  Zn  Zn4  1  0.5000  0.5000  0.6706  1.0
  Ga  Ga5  1  0.5000  0.5000  0.3352  1.0
]