data_[Hf4Zn1Ga11]
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 [P4mm]
_cell_length_a [3.9653]
_cell_length_b [3.9653]
_cell_length_c [17.4297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Hf4ZnGa11]
_chemical_formula_sum '[Hf4 Zn1 Ga11]'
_cell_volume [274.0512]
_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  0.1181  1.0
  Hf  Hf1  1  0.0000  0.0000  0.8822  1.0
  Hf  Hf2  1  0.5000  0.5000  0.3817  1.0
  Hf  Hf3  1  0.5000  0.5000  0.6195  1.0
  Zn  Zn4  1  0.5000  0.5000  0.1276  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0025  1.0
  Ga  Ga6  2  0.0000  0.5000  0.2463  1.0
  Ga  Ga7  2  0.0000  0.5000  0.5001  1.0
  Ga  Ga8  2  0.0000  0.5000  0.7502  1.0
  Ga  Ga9  1  0.0000  0.0000  0.3711  1.0
  Ga  Ga10  1  0.0000  0.0000  0.6250  1.0
  Ga  Ga11  1  0.5000  0.5000  0.8766  1.0
]