data_[Hf2Zn2Ga6]
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 [Pmmn]
_cell_length_a [4.0178]
_cell_length_b [6.6199]
_cell_length_c [6.7315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HfZnGa3]
_chemical_formula_sum '[Hf2 Zn2 Ga6]'
_cell_volume [179.0424]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.7954  1
  Zn  Zn1  2  0.0000  0.0000  0.5258  1
  Ga  Ga2  4  0.0000  0.2986  0.2727  1
  Ga  Ga3  2  0.0000  0.0000  0.9180  1
]